Dataset

D2O Data[289]

This dataset contains NMR spectra obtained for the sample -D2O Data date: 2020-05-06T22:17:29.000Z isFt: true name: D2O Data/278 phc0: -81.6 phc1: 0 type: NMR Spectrum DECIM: 1120 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.8 DSPFVS: 21 nucleus: 1H reverse: false solvent: D2O dimension: 1 increment: 3.7194092493605875 isComplex: true probeName: Z816801_0177 (PA TXI 600S3 H-C/N-D-05 Z) experiment: 1d groupDelay: 76 temperature: 281.3123 spectrumSize: 131072 baseFrequency: 600.13 fieldStrength: 14.095010340939984 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 29.7552739948847 numberOfPoints: 9 relaxationTime: 0.1 acquisitionTime: 0.00022400000000000002 frequencyOffset: 3706.0519999840835 originFrequency: 600.133706052 pulseStrength90: 31250 experimentNumber: 278 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2020-05-06T23:08:47.000Z isFt: true name: D2O Data/279 phc0: -264.18,0 phc1: 0,0 type: NMR Spectrum DECIM: 1680 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.0.8 DSPFVS: 21 nucleus: 1H,D reverse: false,false solvent: D2O dimension: 2 increment: 3.3061454410572164 isComplex: false probeName: Z816801_0177 (PA TXI 600S3 H-C/N-D-05 Z) experiment: dosy groupDelay: 76 temperature: 281.3108 spectrumSize: 8192,1024 baseFrequency: 600.13,600.13 fieldStrength: 14.095010340939984 numberOfScans: 8 pulseSequence: stebpgp1s spectralWidth: 19.8368726463433,10.0002838847282 numberOfPoints: 7 relaxationTime: 3 acquisitionTime: 0.0002519999999999999 frequencyOffset: 3000.649999989946,3000.649999989946 originFrequency: 600.13300065,600.13300065 pulseStrength90: 31250 experimentNumber: 279 acquisitionScheme: undefined linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0 date: 2020-05-06T23:18:00.000Z isFt: true name: D2O Data/283 phc0: -83.02 phc1: 0 type: NMR Spectrum DECIM: 1120 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.8 DSPFVS: 21 nucleus: 1H reverse: false solvent: D2O dimension: 1 increment: 3.7194092493605875 isComplex: true probeName: Z816801_0177 (PA TXI 600S3 H-C/N-D-05 Z) experiment: 1d groupDelay: 76 temperature: 282.3997 spectrumSize: 131072 baseFrequency: 600.13 fieldStrength: 14.095010340939984 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 29.7552739948847 numberOfPoints: 9 relaxationTime: 0.1 acquisitionTime: 0.00022400000000000002 frequencyOffset: 3706.0519999840835 originFrequency: 600.133706052 pulseStrength90: 31250 experimentNumber: 283 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2020-05-07T00:09:18.000Z isFt: true name: D2O Data/284 phc0: -260.54,0 phc1: 0,0 type: NMR Spectrum DECIM: 1680 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.0.8 DSPFVS: 21 nucleus: 1H,D reverse: false,false solvent: D2O dimension: 2 increment: 3.3061454410572164 isComplex: false probeName: Z816801_0177 (PA TXI 600S3 H-C/N-D-05 Z) experiment: dosy groupDelay: 76 temperature: 282.3997 spectrumSize: 8192,1024 baseFrequency: 600.13,600.13 fieldStrength: 14.095010340939984 numberOfScans: 8 pulseSequence: stebpgp1s spectralWidth: 19.8368726463433,10.0002838847282 numberOfPoints: 7 relaxationTime: 3 acquisitionTime: 0.0002519999999999999 frequencyOffset: 3000.649999989946,3000.649999989946 originFrequency: 600.13300065,600.13300065 pulseStrength90: 31250 experimentNumber: 284 acquisitionScheme: undefined linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0 date: 2020-05-07T00:19:52.000Z isFt: true name: D2O Data/288 phc0: -82.32 phc1: 0 type: NMR Spectrum DECIM: 1120 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.8 DSPFVS: 21 nucleus: 1H reverse: false solvent: D2O dimension: 1 increment: 3.7194092493605875 isComplex: true probeName: Z816801_0177 (PA TXI 600S3 H-C/N-D-05 Z) experiment: 1d groupDelay: 76 temperature: 287.589 spectrumSize: 131072 baseFrequency: 600.13 fieldStrength: 14.095010340939984 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 29.7552739948847 numberOfPoints: 9 relaxationTime: 0.1 acquisitionTime: 0.00022400000000000002 frequencyOffset: 3706.0519999840835 originFrequency: 600.133706052 pulseStrength90: 31250 experimentNumber: 288 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2020-05-07T01:11:10.000Z isFt: true name: D2O Data/289 phc0: -263.72,0 phc1: 0,0 type: NMR Spectrum DECIM: 1680 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.0.8 DSPFVS: 21 nucleus: 1H,D reverse: false,false solvent: D2O dimension: 2 increment: 3.3061454410572164 isComplex: false probeName: Z816801_0177 (PA TXI 600S3 H-C/N-D-05 Z) experiment: dosy groupDelay: 76 temperature: 287.5877 spectrumSize: 8192,1024 baseFrequency: 600.13,600.13 fieldStrength: 14.095010340939984 numberOfScans: 8 pulseSequence: stebpgp1s spectralWidth: 19.8368726463433,10.0002838847282 numberOfPoints: 7 relaxationTime: 3 acquisitionTime: 0.0002519999999999999 frequencyOffset: 3000.649999989946,3000.649999989946 originFrequency: 600.13300065,600.13300065 pulseStrength90: 31250 experimentNumber: 289 acquisitionScheme: undefined linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0 date: 2020-05-07T01:29:54.000Z isFt: true name: D2O Data/293 phc0: -82.58 phc1: 0 type: NMR Spectrum DECIM: 1120 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.8 DSPFVS: 21 nucleus: 1H reverse: false solvent: D2O dimension: 1 increment: 3.7194092493605875 isComplex: true probeName: Z816801_0177 (PA TXI 600S3 H-C/N-D-05 Z) experiment: 1d groupDelay: 76 temperature: 292.7722 spectrumSize: 131072 baseFrequency: 600.13 fieldStrength: 14.095010340939984 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 29.7552739948847 numberOfPoints: 9 relaxationTime: 0.1 acquisitionTime: 0.00022400000000000002 frequencyOffset: 3706.0519999840835 originFrequency: 600.133706052 pulseStrength90: 31250 experimentNumber: 293 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2020-05-07T02:21:24.000Z isFt: true name: D2O Data/294 phc0: -264.42,0 phc1: 0,0 type: NMR Spectrum DECIM: 1680 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.0.8 DSPFVS: 21 nucleus: 1H,D reverse: false,false solvent: D2O dimension: 2 increment: 3.3061454410572164 isComplex: false probeName: Z816801_0177 (PA TXI 600S3 H-C/N-D-05 Z) experiment: dosy groupDelay: 76 temperature: 292.7681 spectrumSize: 8192,1024 baseFrequency: 600.13,600.13 fieldStrength: 14.095010340939984 numberOfScans: 8 pulseSequence: stebpgp1s spectralWidth: 19.8368726463433,10.0002838847282 numberOfPoints: 7 relaxationTime: 3 acquisitionTime: 0.0002519999999999999 frequencyOffset: 3000.649999989946,3000.649999989946 originFrequency: 600.13300065,600.13300065 pulseStrength90: 31250 experimentNumber: 294 acquisitionScheme: undefined linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0 date: 2020-05-07T02:32:11.000Z isFt: true name: D2O Data/298 phc0: -81.9 phc1: 0 type: NMR Spectrum DECIM: 1120 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.8 DSPFVS: 21 nucleus: 1H reverse: false solvent: D2O dimension: 1 increment: 3.7194092493605875 isComplex: true probeName: Z816801_0177 (PA TXI 600S3 H-C/N-D-05 Z) experiment: 1d groupDelay: 76 temperature: 297.9524 spectrumSize: 131072 baseFrequency: 600.13 fieldStrength: 14.095010340939984 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 29.7552739948847 numberOfPoints: 9 relaxationTime: 0.1 acquisitionTime: 0.00022400000000000002 frequencyOffset: 3706.0519999840835 originFrequency: 600.133706052 pulseStrength90: 31250 experimentNumber: 298 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2020-05-07T03:23:35.000Z isFt: true name: D2O Data/299 phc0: -264.28,0 phc1: 0,0 type: NMR Spectrum DECIM: 1680 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.0.8 DSPFVS: 21 nucleus: 1H,D reverse: false,false solvent: D2O dimension: 2 increment: 3.3061454410572164 isComplex: false probeName: Z816801_0177 (PA TXI 600S3 H-C/N-D-05 Z) experiment: dosy groupDelay: 76 temperature: 297.9499 spectrumSize: 8192,1024 baseFrequency: 600.13,600.13 fieldStrength: 14.095010340939984 numberOfScans: 8 pulseSequence: stebpgp1s spectralWidth: 19.8368726463433,10.0002838847282 numberOfPoints: 7 relaxationTime: 3 acquisitionTime: 0.0002519999999999999 frequencyOffset: 3000.649999989946,3000.649999989946 originFrequency: 600.13300065,600.13300065 pulseStrength90: 31250 experimentNumber: 299 acquisitionScheme: undefined linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0 date: 2020-05-07T03:34:19.000Z isFt: true name: D2O Data/303 phc0: -81.38 phc1: 0 type: NMR Spectrum DECIM: 1120 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.8 DSPFVS: 21 nucleus: 1H reverse: false solvent: D2O dimension: 1 increment: 3.7194092493605875 isComplex: true probeName: Z816801_0177 (PA TXI 600S3 H-C/N-D-05 Z) experiment: 1d groupDelay: 76 temperature: 303.1329 spectrumSize: 131072 baseFrequency: 600.13 fieldStrength: 14.095010340939984 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 29.7552739948847 numberOfPoints: 9 relaxationTime: 0.1 acquisitionTime: 0.00022400000000000002 frequencyOffset: 3706.0519999840835 originFrequency: 600.133706052 pulseStrength90: 31250 experimentNumber: 303 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2020-05-07T04:25:52.000Z isFt: true name: D2O Data/304 phc0: -263.92,0 phc1: 0,0 type: NMR Spectrum DECIM: 1680 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.0.8 DSPFVS: 21 nucleus: 1H,D reverse: false,false solvent: D2O dimension: 2 increment: 3.3061454410572164 isComplex: false probeName: Z816801_0177 (PA TXI 600S3 H-C/N-D-05 Z) experiment: dosy groupDelay: 76 temperature: 303.1339 spectrumSize: 8192,1024 baseFrequency: 600.13,600.13 fieldStrength: 14.095010340939984 numberOfScans: 8 pulseSequence: stebpgp1s spectralWidth: 19.8368726463433,10.0002838847282 numberOfPoints: 7 relaxationTime: 3 acquisitionTime: 0.0002519999999999999 frequencyOffset: 3000.649999989946,3000.649999989946 originFrequency: 600.13300065,600.13300065 pulseStrength90: 31250 experimentNumber: 304 acquisitionScheme: undefined linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0 date: 2020-05-07T04:36:18.000Z isFt: true name: D2O Data/308 phc0: -81.1 phc1: 0 type: NMR Spectrum DECIM: 1120 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.8 DSPFVS: 21 nucleus: 1H reverse: false solvent: D2O dimension: 1 increment: 3.7194092493605875 isComplex: true probeName: Z816801_0177 (PA TXI 600S3 H-C/N-D-05 Z) experiment: 1d groupDelay: 76 temperature: 308.3144 spectrumSize: 131072 baseFrequency: 600.13 fieldStrength: 14.095010340939984 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 29.7552739948847 numberOfPoints: 9 relaxationTime: 0.1 acquisitionTime: 0.00022400000000000002 frequencyOffset: 3706.0519999840835 originFrequency: 600.133706052 pulseStrength90: 31250 experimentNumber: 308 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2020-05-07T05:27:50.000Z isFt: true name: D2O Data/309 phc0: -258.64,0 phc1: 0,0 type: NMR Spectrum DECIM: 1680 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.0.8 DSPFVS: 21 nucleus: 1H,D reverse: false,false solvent: D2O dimension: 2 increment: 3.3061454410572164 isComplex: false probeName: Z816801_0177 (PA TXI 600S3 H-C/N-D-05 Z) experiment: dosy groupDelay: 76 temperature: 308.3118 spectrumSize: 8192,1024 baseFrequency: 600.13,600.13 fieldStrength: 14.095010340939984 numberOfScans: 8 pulseSequence: stebpgp1s spectralWidth: 19.8368726463433,10.0002838847282 numberOfPoints: 7 relaxationTime: 3 acquisitionTime: 0.0002519999999999999 frequencyOffset: 3000.649999989946,3000.649999989946 originFrequency: 600.13300065,600.13300065 pulseStrength90: 31250 experimentNumber: 309 acquisitionScheme: undefined linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0 date: 2020-05-07T05:37:47.000Z isFt: true name: D2O Data/310 phc0: -80.96 phc1: 0 type: NMR Spectrum DECIM: 1120 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.8 DSPFVS: 21 nucleus: 1H reverse: false solvent: D2O dimension: 1 increment: 3.7194092493605875 isComplex: true probeName: Z816801_0177 (PA TXI 600S3 H-C/N-D-05 Z) experiment: 1d groupDelay: 76 temperature: 310.3799 spectrumSize: 131072 baseFrequency: 600.13 fieldStrength: 14.095010340939984 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 29.7552739948847 numberOfPoints: 9 relaxationTime: 0.1 acquisitionTime: 0.00022400000000000002 frequencyOffset: 3706.0519999840835 originFrequency: 600.133706052 pulseStrength90: 31250 experimentNumber: 310 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2020-05-07T06:29:17.000Z isFt: true name: D2O Data/311 phc0: -258.98,0 phc1: 0,0 type: NMR Spectrum DECIM: 1680 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.0.8 DSPFVS: 21 nucleus: 1H,D reverse: false,false solvent: D2O dimension: 2 increment: 3.3061454410572164 isComplex: false probeName: Z816801_0177 (PA TXI 600S3 H-C/N-D-05 Z) experiment: dosy groupDelay: 76 temperature: 310.3802 spectrumSize: 8192,1024 baseFrequency: 600.13,600.13 fieldStrength: 14.095010340939984 numberOfScans: 8 pulseSequence: stebpgp1s spectralWidth: 19.8368726463433,10.0002838847282 numberOfPoints: 7 relaxationTime: 3 acquisitionTime: 0.0002519999999999999 frequencyOffset: 3000.649999989946,3000.649999989946 originFrequency: 600.13300065,600.13300065 pulseStrength90: 31250 experimentNumber: 311 acquisitionScheme: undefined linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0 date: 2020-05-07T07:30:55.000Z isFt: true name: D2O Data/314 phc0: -260.24,0 phc1: 0,0 type: NMR Spectrum DECIM: 1680 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.0.8 DSPFVS: 21 nucleus: 1H,D reverse: false,false solvent: D2O dimension: 2 increment: 3.3061454410572164 isComplex: false probeName: Z816801_0177 (PA TXI 600S3 H-C/N-D-05 Z) experiment: dosy groupDelay: 76 temperature: 313.5206 spectrumSize: 8192,1024 baseFrequency: 600.13,600.13 fieldStrength: 14.095010340939984 numberOfScans: 8 pulseSequence: stebpgp1s spectralWidth: 19.8368726463433,10.0002838847282 numberOfPoints: 7 relaxationTime: 3 acquisitionTime: 0.0002519999999999999 frequencyOffset: 3000.649999989946,3000.649999989946 originFrequency: 600.13300065,600.13300065 pulseStrength90: 31250 experimentNumber: 314 acquisitionScheme: undefined linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0 date: 2020-05-07T07:41:53.000Z isFt: true name: D2O Data/318 phc0: -80.98 phc1: 0 type: NMR Spectrum DECIM: 1120 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.8 DSPFVS: 21 nucleus: 1H reverse: false solvent: D2O dimension: 1 increment: 3.7194092493605875 isComplex: true probeName: Z816801_0177 (PA TXI 600S3 H-C/N-D-05 Z) experiment: 1d groupDelay: 76 temperature: 318.6756 spectrumSize: 131072 baseFrequency: 600.13 fieldStrength: 14.095010340939984 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 29.7552739948847 numberOfPoints: 9 relaxationTime: 0.1 acquisitionTime: 0.00022400000000000002 frequencyOffset: 3706.0519999840835 originFrequency: 600.133706052 pulseStrength90: 31250 experimentNumber: 318 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2020-05-07T08:33:23.000Z isFt: true name: D2O Data/319 phc0: -260.62,0 phc1: 0,0 type: NMR Spectrum DECIM: 1680 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.0.8 DSPFVS: 21 nucleus: 1H,D reverse: false,false solvent: D2O dimension: 2 increment: 3.3061454410572164 isComplex: false probeName: Z816801_0177 (PA TXI 600S3 H-C/N-D-05 Z) experiment: dosy groupDelay: 76 temperature: 318.6759 spectrumSize: 8192,1024 baseFrequency: 600.13,600.13 fieldStrength: 14.095010340939984 numberOfScans: 8 pulseSequence: stebpgp1s spectralWidth: 19.8368726463433,10.0002838847282 numberOfPoints: 7 relaxationTime: 3 acquisitionTime: 0.0002519999999999999 frequencyOffset: 3000.649999989946,3000.649999989946 originFrequency: 600.13300065,600.13300065 pulseStrength90: 31250 experimentNumber: 319 acquisitionScheme: undefined linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0 date: 2020-05-07T08:44:06.000Z isFt: true name: D2O Data/323 phc0: -80.7 phc1: 0 type: NMR Spectrum DECIM: 1120 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.8 DSPFVS: 21 nucleus: 1H reverse: false solvent: D2O dimension: 1 increment: 3.7194092493605875 isComplex: true probeName: Z816801_0177 (PA TXI 600S3 H-C/N-D-05 Z) experiment: 1d groupDelay: 76 temperature: 323.8556 spectrumSize: 131072 baseFrequency: 600.13 fieldStrength: 14.095010340939984 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 29.7552739948847 numberOfPoints: 9 relaxationTime: 0.1 acquisitionTime: 0.00022400000000000002 frequencyOffset: 3706.0519999840835 originFrequency: 600.133706052 pulseStrength90: 31250 experimentNumber: 323 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2020-05-07T09:35:49.000Z isFt: true name: D2O Data/324 phc0: -261.06,0 phc1: 0,0 type: NMR Spectrum DECIM: 1680 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.0.8 DSPFVS: 21 nucleus: 1H,D reverse: false,false solvent: D2O dimension: 2 increment: 3.3061454410572164 isComplex: false probeName: Z816801_0177 (PA TXI 600S3 H-C/N-D-05 Z) experiment: dosy groupDelay: 76 temperature: 323.8571 spectrumSize: 8192,1024 baseFrequency: 600.13,600.13 fieldStrength: 14.095010340939984 numberOfScans: 8 pulseSequence: stebpgp1s spectralWidth: 19.8368726463433,10.0002838847282 numberOfPoints: 7 relaxationTime: 3 acquisitionTime: 0.0002519999999999999 frequencyOffset: 3000.649999989946,3000.649999989946 originFrequency: 600.13300065,600.13300065 pulseStrength90: 31250 experimentNumber: 324 acquisitionScheme: undefined linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0 date: 2020-05-07T09:46:35.000Z isFt: true name: D2O Data/328 phc0: -80.52 phc1: 0 type: NMR Spectrum DECIM: 1120 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.8 DSPFVS: 21 nucleus: 1H reverse: false solvent: D2O dimension: 1 increment: 3.7194092493605875 isComplex: true probeName: Z816801_0177 (PA TXI 600S3 H-C/N-D-05 Z) experiment: 1d groupDelay: 76 temperature: 329.0362 spectrumSize: 131072 baseFrequency: 600.13 fieldStrength: 14.095010340939984 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 29.7552739948847 numberOfPoints: 9 relaxationTime: 0.1 acquisitionTime: 0.00022400000000000002 frequencyOffset: 3706.0519999840835 originFrequency: 600.133706052 pulseStrength90: 31250 experimentNumber: 328 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2020-05-07T10:38:20.000Z isFt: true name: D2O Data/329 phc0: -260.52,0 phc1: 0,0 type: NMR Spectrum DECIM: 1680 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.0.8 DSPFVS: 21 nucleus: 1H,D reverse: false,false solvent: D2O dimension: 2 increment: 3.3061454410572164 isComplex: false probeName: Z816801_0177 (PA TXI 600S3 H-C/N-D-05 Z) experiment: dosy groupDelay: 76 temperature: 329.035 spectrumSize: 8192,1024 baseFrequency: 600.13,600.13 fieldStrength: 14.095010340939984 numberOfScans: 8 pulseSequence: stebpgp1s spectralWidth: 19.8368726463433,10.0002838847282 numberOfPoints: 7 relaxationTime: 3 acquisitionTime: 0.0002519999999999999 frequencyOffset: 3000.649999989946,3000.649999989946 originFrequency: 600.13300065,600.13300065 pulseStrength90: 31250 experimentNumber: 329 acquisitionScheme: undefined linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0

Chemical Information

molecular Image
InChI InChI=1S/H2O/h1H2/i/hD2
SMILES [2H]O[2H]
InChI Key XLYOFNOQVPJJNP-ZSJDYOACSA-N
Exact Mass 20.028 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p68.s504.d2505
License URL https://creativecommons.org/licenses/by-sa/4.0/legalcode
Source https://nmrxiv.org/D2505
Version
Author
Maintainer
Language english
MetadataPublished 2024-06-14T10:54:04.000000Z
Related Molecule
  • deuterated water
    • Field Value
    Measurement Technique dosy
    Measurement Variables
    NMR solvent : D2O

    acquisition nucleus : ['1H', 'D']

    NMR spectrum by dimensionality : 2

    NMR probe : Z816801_0177 (PA TXI 600S3 H-C/N-D-05 Z)

    Temperature : 287.5877 K

    magnetic field strength : 14.095010340939984 Tesla

    number of scans : 8 scans

    nuclear magnetic resonance pulse sequence : stebpgp1s

    Spectral Width : [19.8368726463433, 10.0002838847282]

    number of data points : 7 points

    relaxation time measurement : 3 seconds

    Data-Source Molecule ID Data-Source
    J95.184F Nikkaji
    DTXSID4051243 EPA CompTox Dashboard
    CHEMBL1232306 ChEMBL
    DOD PDBe
    483017 eMolecules
    7789-20-0 ACToR
    15218568 PubChem: Thomson Pharma
    24602 PubChem
    156428-50-1 ACToR
    J65BV539M3 FDA SRS
    SCHEMBL57022 SureChEMBL
    41981 ChEBI
    29912 Brenda
    MTBLC41981 Metabolights
    CB3736883 ChemicalBook
    The data in this table is sourced from UniChem at EBI.