This dataset contains NMR spectra obtained for the sample -compound 4 date: 2021-02-25T10:36:59.000Z isFt: false name: compound 4/1 phc0: -51.90553 phc1: -62.88863 type: NMR FID DECIM: 1664 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TOPSPIN Version 3.2 DSPFVS: 20 nucleus: 1H reverse: false solvent: MeOD dimension: 1 increment: 0.00004160000000000005 isComplex: true probeName: 5 mm PATXI 1H/D-13C/15N Z-GRD Z816801/0159 experiment: 1d groupDelay: 67.9841613769531 temperature: 293.8 spectrumSize: 65536 baseFrequency: 600.13 digitalFilter: 67.9841613769531 fieldStrength: 14.095010340939984 numberOfScans: 16 pulseSequence: zg spectralWidth: 20.0275882658545 numberOfPoints: 12 relaxationTime: 1 acquisitionTime: 0.00045760000000000055 frequencyOffset: 3706.0500000052343 originFrequency: 600.13370605 pulseStrength90: 34246.57534246575 experimentNumber: 1 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2021-02-25T10:36:59.000Z isFt: true name: compound 4/1 phc0: -51.90553 phc1: -62.88863 type: NMR Spectrum DECIM: 1664 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TOPSPIN Version 3.2 DSPFVS: 20 nucleus: 1H reverse: false solvent: MeOD dimension: 1 increment: 1.8206898423504092 isComplex: true probeName: 5 mm PATXI 1H/D-13C/15N Z-GRD Z816801/0159 experiment: 1d groupDelay: 67.9841613769531 temperature: 293.8 spectrumSize: 65536 baseFrequency: 600.13 fieldStrength: 14.095010340939984 numberOfScans: 16 pulseSequence: zg spectralWidth: 20.0275882658545 numberOfPoints: 12 relaxationTime: 1 acquisitionTime: 0.00045760000000000055 frequencyOffset: 3706.0500000052343 originFrequency: 600.13370605 pulseStrength90: 34246.57534246575 experimentNumber: 1 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2021-03-11T09:56:03.000Z isFt: false name: compound 4/2 phc0: 339.8917,0 phc1: -24.27709,0 type: NMR FID DECIM: 2773.33333333333 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TOPSPIN Version 3.2 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: MeOD dimension: 2 increment: 0.0000693333333333332 isComplex: true probeName: 5 mm PATXI 1H/D-13C/15N Z-GRD Z816801/0159 experiment: hsqc groupDelay: 67.9858856201172 temperature: 292.9 spectrumSize: 1024,1024 baseFrequency: 600.13,150.902809 digitalFilter: 67.9858856201172 fieldStrength: 14.095010340939984 numberOfScans: 24 pulseSequence: hsqcedetgpsisp2.3 spectralWidth: 12.0165706888158,164.833781976461 numberOfPoints: 17 relaxationTime: 1 acquisitionTime: 0.001109333333333331 frequencyOffset: 2820.6099999579237,10563.2000000071 originFrequency: 600.13282061,150.9133722 pulseStrength90: 34246.57534246575 experimentNumber: 2 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,224 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2021-03-11T09:56:03.000Z isFt: true name: compound 4/2 phc0: 339.8917,0 phc1: -24.27709,0 type: NMR Spectrum DECIM: 2773.33333333333 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TOPSPIN Version 3.2 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: MeOD dimension: 2 increment: 0.7510356680509875 isComplex: false probeName: 5 mm PATXI 1H/D-13C/15N Z-GRD Z816801/0159 experiment: hsqc groupDelay: 67.9858856201172 temperature: 292.9 spectrumSize: 1024,1024 baseFrequency: 600.13,150.902809 fieldStrength: 14.095010340939984 numberOfScans: 24 pulseSequence: hsqcedetgpsisp2.3 spectralWidth: 12.0165706888158,164.833781976461 numberOfPoints: 17 relaxationTime: 1 acquisitionTime: 0.001109333333333331 frequencyOffset: 2820.6099999579237,10563.2000000071 originFrequency: 600.13282061,150.9133722 pulseStrength90: 34246.57534246575 experimentNumber: 2 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,224 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2021-03-11T10:50:36.000Z isFt: true name: compound 4/3 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 2773.33333333333 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TOPSPIN Version 3.2 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: MeOD dimension: 2 increment: 0.500690445367325 isComplex: false probeName: 5 mm PATXI 1H/D-13C/15N Z-GRD Z816801/0159 experiment: hmbc groupDelay: 67.9858856201172 temperature: 293.3 spectrumSize: 1024,1024 baseFrequency: 600.13,150.902809 fieldStrength: 14.095010340939984 numberOfScans: 48 pulseSequence: hmbcgplpndqf spectralWidth: 12.0165706888158,230.070134920507 numberOfPoints: 25 relaxationTime: 1 acquisitionTime: 0.0016639999999999966 frequencyOffset: 2820.6099999579237,17353.820000010957 originFrequency: 600.13282061,150.92016282 pulseStrength90: 34246.57534246575 experimentNumber: 3 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,394 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2021-03-11T14:01:31.000Z isFt: false name: compound 4/4 phc0: 206.1807,0 phc1: -2.363435,0 type: NMR FID DECIM: 2773.33333333333 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TOPSPIN Version 3.2 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: MeOD dimension: 2 increment: 0.00006933333333333356 isComplex: true probeName: 5 mm PATXI 1H/D-13C/15N Z-GRD Z816801/0159 experiment: cosy groupDelay: 67.9858856201172 temperature: 292.5 spectrumSize: 2048,1024 baseFrequency: 600.13,600.13 digitalFilter: 67.9858856201172 fieldStrength: 14.095010340939984 numberOfScans: 8 pulseSequence: cosygpqf spectralWidth: 12.0165706754002,12.0050273798427 numberOfPoints: 11 relaxationTime: 2 acquisitionTime: 0.0006933333333333356 frequencyOffset: 2821.280000034676,2821.280000034676 originFrequency: 600.13282128,600.13282128 pulseStrength90: 34246.57534246575 experimentNumber: 4 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,456 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2021-03-11T14:01:31.000Z isFt: true name: compound 4/4 phc0: 206.1807,0 phc1: -2.363435,0 type: NMR Spectrum DECIM: 2773.33333333333 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TOPSPIN Version 3.2 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: MeOD dimension: 2 increment: 1.20165706754002 isComplex: false probeName: 5 mm PATXI 1H/D-13C/15N Z-GRD Z816801/0159 experiment: cosy groupDelay: 67.9858856201172 temperature: 292.5 spectrumSize: 2048,1024 baseFrequency: 600.13,600.13 fieldStrength: 14.095010340939984 numberOfScans: 8 pulseSequence: cosygpqf spectralWidth: 12.0165706754002,12.0050273798427 numberOfPoints: 11 relaxationTime: 2 acquisitionTime: 0.0006933333333333356 frequencyOffset: 2821.280000034676,2821.280000034676 originFrequency: 600.13282128,600.13282128 pulseStrength90: 34246.57534246575 experimentNumber: 4 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,456 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2021-08-11T06:40:36.000Z isFt: false name: compound 4/5 phc0: 0.7696009 phc1: -57.78064 type: NMR FID DECIM: 552 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TOPSPIN Version 3.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: MeOD dimension: 1 increment: 0.000013799999999999985 isComplex: true probeName: 5 mm PATXI 1H/D-13C/15N Z-GRD Z816801/0159 experiment: 1d groupDelay: 68.0126800537109 temperature: 293.6 spectrumSize: 1048576 baseFrequency: 150.902809 digitalFilter: 68.0126800537109 fieldStrength: 14.092007892665164 numberOfScans: 36864 pulseSequence: zgpg spectralWidth: 240.073179667668 numberOfPoints: 22 relaxationTime: 3 acquisitionTime: 0.00028979999999999967 frequencyOffset: 17356.710000001385 originFrequency: 150.92016571 pulseStrength90: 16666.666666666668 experimentNumber: 5 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2021-08-11T06:40:36.000Z isFt: true name: compound 4/5 phc0: 0.7696009 phc1: -57.78064 type: NMR Spectrum DECIM: 552 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TOPSPIN Version 3.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: MeOD dimension: 1 increment: 11.432056174650857 isComplex: true probeName: 5 mm PATXI 1H/D-13C/15N Z-GRD Z816801/0159 experiment: 1d groupDelay: 68.0126800537109 temperature: 293.6 spectrumSize: 1048576 baseFrequency: 150.902809 fieldStrength: 14.092007892665164 numberOfScans: 36864 pulseSequence: zgpg spectralWidth: 240.073179667668 numberOfPoints: 22 relaxationTime: 3 acquisitionTime: 0.00028979999999999967 frequencyOffset: 17356.710000001385 originFrequency: 150.92016571 pulseStrength90: 16666.666666666668 experimentNumber: 5 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-08-05T17:59:49.000Z isFt: false name: compound 4/6 phc0: 37.21404,179.4297 phc1: 2.356201,-180.8 type: NMR FID DECIM: 2780 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TOPSPIN Version 3.2 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: MeOD dimension: 2 increment: 0.00006950000000000004 isComplex: true probeName: 5 mm PATXI 1H/D-13C/15N Z-GRD Z816801/0193 experiment: roesy groupDelay: 76 temperature: 298 spectrumSize: 2048,1024 baseFrequency: 600.13,600.13 digitalFilter: 76 fieldStrength: 14.095010340939984 numberOfScans: 96 pulseSequence: roesyph spectralWidth: 11.987738388529,12.0050117867834 numberOfPoints: 8 relaxationTime: 1 acquisitionTime: 0.0004865000000000002 frequencyOffset: 3600.7800000561474,3600.7800000561474 originFrequency: 600.13360078,600.13360078 pulseStrength90: 31250 experimentNumber: 6 acquisitionScheme: States-TPPI linearPredictionBin: 0,512 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2022-08-05T17:59:49.000Z isFt: true name: compound 4/6 phc0: 37.21404,179.4297 phc1: 2.356201,-180.8 type: NMR Spectrum DECIM: 2780 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TOPSPIN Version 3.2 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: MeOD dimension: 2 increment: 1.7125340555041428 isComplex: false probeName: 5 mm PATXI 1H/D-13C/15N Z-GRD Z816801/0193 experiment: roesy groupDelay: 76 temperature: 298 spectrumSize: 2048,1024 baseFrequency: 600.13,600.13 fieldStrength: 14.095010340939984 numberOfScans: 96 pulseSequence: roesyph spectralWidth: 11.987738388529,12.0050117867834 numberOfPoints: 8 relaxationTime: 1 acquisitionTime: 0.0004865000000000002 frequencyOffset: 3600.7800000561474,3600.7800000561474 originFrequency: 600.13360078,600.13360078 pulseStrength90: 31250 experimentNumber: 6 acquisitionScheme: States-TPPI linearPredictionBin: 0,512 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4
