Dataset

D2O Data.1d

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 Info

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

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p68.s504.d2500
License URL https://creativecommons.org/licenses/by-sa/4.0/legalcode
Source https://nmrxiv.org/D2500
Version
Author
Maintainer
Language english
MetadataCreated 2025-02-03T16:21:23.148470
MetadataModified 2025-02-03T16:21:23.148477
MetadataPublished 2024-06-14 10:54:04
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
NMR solvent : D2O

acquisition nucleus : 1H

NMR spectrum by dimensionality : 1

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

Temperature : 281.3123 K

magnetic field strength : 14.095010340939984 Tesla

number of scans : 16 scans

nuclear magnetic resonance pulse sequence : zg30

Spectral Width : 29.7552739948847

number of data points : 9 points

relaxation time measurement : 0.1 seconds

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