DOI: 10.57992/nmrxiv.p82.s704
title: Luc_Ibuprofen_CMCse

description: This dataset contains NMR spectra obtained for the sample -Luc_Ibuprofen_CMCse date: 2014-07-17T14:03:29.000Z isFt: false name: Luc_Ibuprofen_CMCse/1 phc0: -26.57524 phc1: 4 type: NMR FID DECIM: 2500 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 21 nucleus: 1H reverse: false solvent: DMSO dimension: 1 increment: 0.00006249999999999999 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z116098/0005 experiment: proton groupDelay: 76 temperature: 303.1464 spectrumSize: 65536 baseFrequency: 399.91 digitalFilter: 76 fieldStrength: 9.392524262152051 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 20.0043709850668 numberOfPoints: 68 relaxationTime: 2 acquisitionTime: 0.004187499999999999 frequencyOffset: 2599.3999999514017 originFrequency: 399.9125994 pulseStrength90: 25960.539979231566 experimentNumber: 1 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2014-07-17T14:03:29.000Z isFt: true name: Luc_Ibuprofen_CMCse/1 phc0: -26.57524 phc1: 4 type: NMR Spectrum DECIM: 2500 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 21 nucleus: 1H reverse: false solvent: DMSO dimension: 1 increment: 0.29857270126965374 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z116098/0005 experiment: proton groupDelay: 76 temperature: 303.1464 spectrumSize: 65536 baseFrequency: 399.91 fieldStrength: 9.392524262152051 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 20.0043709850668 numberOfPoints: 68 relaxationTime: 2 acquisitionTime: 0.004187499999999999 frequencyOffset: 2599.3999999514017 originFrequency: 399.9125994 pulseStrength90: 25960.539979231566 experimentNumber: 1 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2014-07-17T14:06:55.000Z isFt: false name: Luc_Ibuprofen_CMCse/2 phc0: -90.02569 phc1: 16.17087 type: NMR FID DECIM: 736 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 21 nucleus: 13C reverse: false solvent: DMSO dimension: 1 increment: 0.000018400000000000003 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z116098/0005 experiment: c13 groupDelay: 76 temperature: 303.186 spectrumSize: 65536 baseFrequency: 100.557449482 digitalFilter: 76 fieldStrength: 9.390523484335024 numberOfScans: 128 pulseSequence: zgpg30 spectralWidth: 270.200294208908 numberOfPoints: 35 relaxationTime: 2 acquisitionTime: 0.0006256000000000001 frequencyOffset: 12067.375996011266 originFrequency: 100.569516857996 pulseStrength90: 30120.48192771084 experimentNumber: 2 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2014-07-17T14:06:55.000Z isFt: true name: Luc_Ibuprofen_CMCse/2 phc0: -90.02569 phc1: 16.17087 type: NMR Spectrum DECIM: 736 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 21 nucleus: 13C reverse: false solvent: DMSO dimension: 1 increment: 7.947067476732589 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z116098/0005 experiment: c13 groupDelay: 76 temperature: 303.186 spectrumSize: 65536 baseFrequency: 100.557449482 fieldStrength: 9.390523484335024 numberOfScans: 128 pulseSequence: zgpg30 spectralWidth: 270.200294208908 numberOfPoints: 35 relaxationTime: 2 acquisitionTime: 0.0006256000000000001 frequencyOffset: 12067.375996011266 originFrequency: 100.569516857996 pulseStrength90: 30120.48192771084 experimentNumber: 2 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2014-07-17T14:13:40.000Z isFt: false name: Luc_Ibuprofen_CMCse/3 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 3848 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: DMSO dimension: 2 increment: 0.00009619999999999982 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z116098/0005 experiment: cosy groupDelay: 67.9868011474609 temperature: 303.1061 spectrumSize: 2048,2048 baseFrequency: 399.91,399.91 digitalFilter: 67.9868011474609 fieldStrength: 9.392524262152051 numberOfScans: 4 pulseSequence: cosygpmfppqf spectralWidth: 12.9966027704759,12.9966027704759 numberOfPoints: 18 relaxationTime: 1.5 acquisitionTime: 0.001635399999999997 frequencyOffset: 2599.414999963301,2599.414999963301 originFrequency: 399.912599415,399.912599415 pulseStrength90: 25960.539979231566 experimentNumber: 3 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,512 lpNumberOfCoefficients: 0,100 windowMultiplicationMode: 4,4 date: 2014-07-17T14:13:40.000Z isFt: true name: Luc_Ibuprofen_CMCse/3 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 3848 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: DMSO dimension: 2 increment: 0.7645060453221117 isComplex: false probeName: 5 mm PABBO BB-1H/D Z-GRD Z116098/0005 experiment: cosy groupDelay: 67.9868011474609 temperature: 303.1061 spectrumSize: 2048,2048 baseFrequency: 399.91,399.91 fieldStrength: 9.392524262152051 numberOfScans: 4 pulseSequence: cosygpmfppqf spectralWidth: 12.9966027704759,12.9966027704759 numberOfPoints: 18 relaxationTime: 1.5 acquisitionTime: 0.001635399999999997 frequencyOffset: 2599.414999963301,2599.414999963301 originFrequency: 399.912599415,399.912599415 pulseStrength90: 25960.539979231566 experimentNumber: 3 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,512 lpNumberOfCoefficients: 0,100 windowMultiplicationMode: 4,4 date: 2014-07-17T14:48:06.000Z isFt: false name: Luc_Ibuprofen_CMCse/4 phc0: 107.4637,0 phc1: 4,0 type: NMR FID DECIM: 3848 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: DMSO dimension: 2 increment: 0.00009619999999999982 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z116098/0005 experiment: hsqc groupDelay: 67.9868011474609 temperature: 303.1891 spectrumSize: 2048,2048 baseFrequency: 399.91,100.557449482 digitalFilter: 67.9868011474609 fieldStrength: 9.392524262152051 numberOfScans: 8 pulseSequence: hsqcedetgpsp.3 spectralWidth: 12.9966027704759,179.487546022245 numberOfPoints: 15 relaxationTime: 2 acquisitionTime: 0.0013467999999999974 frequencyOffset: 2599.414999963301,9647.880891009208 originFrequency: 399.912599415,100.567097362891 pulseStrength90: 25960.539979231566 experimentNumber: 4 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,800 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2014-07-17T14:48:06.000Z isFt: true name: Luc_Ibuprofen_CMCse/4 phc0: 107.4637,0 phc1: 4,0 type: NMR Spectrum DECIM: 3848 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: DMSO dimension: 2 increment: 0.9283287693197071 isComplex: false probeName: 5 mm PABBO BB-1H/D Z-GRD Z116098/0005 experiment: hsqc groupDelay: 67.9868011474609 temperature: 303.1891 spectrumSize: 2048,2048 baseFrequency: 399.91,100.557449482 fieldStrength: 9.392524262152051 numberOfScans: 8 pulseSequence: hsqcedetgpsp.3 spectralWidth: 12.9966027704759,179.487546022245 numberOfPoints: 15 relaxationTime: 2 acquisitionTime: 0.0013467999999999974 frequencyOffset: 2599.414999963301,9647.880891009208 originFrequency: 399.912599415,100.567097362891 pulseStrength90: 25960.539979231566 experimentNumber: 4 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,800 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2014-07-17T16:47:20.000Z isFt: false name: Luc_Ibuprofen_CMCse/5 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 3328 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: DMSO dimension: 2 increment: 0.00008320000000000018 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z116098/0005 experiment: hmbc groupDelay: 67.9842681884766 temperature: 303.1355 spectrumSize: 2048,2048 baseFrequency: 399.91,100.557449482 digitalFilter: 67.9842681884766 fieldStrength: 9.392524262152051 numberOfScans: 8 pulseSequence: hmbcetgpl3nd spectralWidth: 15.0273219533627,179.487546022245 numberOfPoints: 20 relaxationTime: 1.5 acquisitionTime: 0.0015808000000000033 frequencyOffset: 2599.414999963301,9647.880891009208 originFrequency: 399.912599415,100.567097362891 pulseStrength90: 25960.539979231566 experimentNumber: 5 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,4 date: 2014-07-17T16:47:20.000Z isFt: true name: Luc_Ibuprofen_CMCse/5 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 3328 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: DMSO dimension: 2 increment: 0.7909116817559315 isComplex: false probeName: 5 mm PABBO BB-1H/D Z-GRD Z116098/0005 experiment: hmbc groupDelay: 67.9842681884766 temperature: 303.1355 spectrumSize: 2048,2048 baseFrequency: 399.91,100.557449482 fieldStrength: 9.392524262152051 numberOfScans: 8 pulseSequence: hmbcetgpl3nd spectralWidth: 15.0273219533627,179.487546022245 numberOfPoints: 20 relaxationTime: 1.5 acquisitionTime: 0.0015808000000000033 frequencyOffset: 2599.414999963301,9647.880891009208 originFrequency: 399.912599415,100.567097362891 pulseStrength90: 25960.539979231566 experimentNumber: 5 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,4