Dataset

pyruvate-3-13C - unlabeled.1d

This dataset contains NMR spectra obtained for the sample -pyruvate-3-13C - unlabeleddate: 2017-10-29T22:34:37.000ZisFt: falsename: pyruvate-3-13C - unlabeled/0phc0: 400.8768phc1: -225.5782type: NMR FIDDECIM: 576aqMod: 3isFid: truetdOff: -44title: Parameter file, TOPSPIN Version 3.2DSPFVS: -1nucleus: 13Creverse: falsesolvent: MeODdimension: 1increment: 0.000014400000000000028isComplex: trueprobeName: 5 mm CPTCI 1H-13C/15N/D Z-GRD Z75812/0071experiment: 1dgroupDelay: 67.9837341308594temperature: 300.001spectrumSize: 32768baseFrequency: 150.927954digitalFilter: 67.9837341308594fieldStrength: 14.094356050004377numberOfScans: 30720pulseSequence: zgpg30spectralWidth: 230.034177533868numberOfPoints: 6relaxationTime: 0.5acquisitionTime: 0.00007200000000000014frequencyOffset: 15799.638999993704originFrequency: 150.943753639pulseStrength90: 22727.272727272728experimentNumber: 0acquisitionScheme: 0linearPredictionBin: 8192lpNumberOfCoefficients: 4096windowMultiplicationMode: 1date: 2017-10-29T22:34:37.000ZisFt: truename: pyruvate-3-13C - unlabeled/0phc0: 400.8768phc1: -225.5782type: NMR SpectrumDECIM: 576aqMod: 3isFid: falsetdOff: -44title: Parameter file, TOPSPIN Version 3.2DSPFVS: -1nucleus: 13Creverse: falsesolvent: MeODdimension: 1increment: 46.0068355067736isComplex: trueprobeName: 5 mm CPTCI 1H-13C/15N/D Z-GRD Z75812/0071experiment: 1dgroupDelay: 67.9837341308594temperature: 300.001spectrumSize: 32768baseFrequency: 150.927954fieldStrength: 14.094356050004377numberOfScans: 30720pulseSequence: zgpg30spectralWidth: 230.034177533868numberOfPoints: 6relaxationTime: 0.5acquisitionTime: 0.00007200000000000014frequencyOffset: 15799.638999993704originFrequency: 150.943753639pulseStrength90: 22727.272727272728experimentNumber: 0acquisitionScheme: 0linearPredictionBin: 8192lpNumberOfCoefficients: 4096windowMultiplicationMode: 1date: 2017-10-21T13:29:36.000ZisFt: falsename: pyruvate-3-13C - unlabeled/0phc0: 73.53463phc1: -33.9382type: NMR FIDDECIM: 1664aqMod: 3isFid: truetdOff: 0title: Parameter file, TOPSPIN Version 3.2DSPFVS: 20nucleus: 1Hreverse: falsesolvent: MeODdimension: 1increment: 0.0000415999999999998isComplex: trueprobeName: 5 mm CPTCI 1H-13C/15N/D Z-GRD Z75812/0071experiment: 1dgroupDelay: 67.9841613769531temperature: 300.001spectrumSize: 65536baseFrequency: 600.23digitalFilter: 67.9841613769531fieldStrength: 14.097359000453913numberOfScans: 1pulseSequence: zgspectralWidth: 20.0243330927582numberOfPoints: 3relaxationTime: 1acquisitionTime: 0.0000831999999999996frequencyOffset: 1264.3100000104823originFrequency: 600.23126431pulseStrength90: 34482.75862068965experimentNumber: 0acquisitionScheme: 0linearPredictionBin: 65536lpNumberOfCoefficients: 512windowMultiplicationMode: 1date: 2017-10-21T13:29:36.000ZisFt: truename: pyruvate-3-13C - unlabeled/0phc0: 73.53463phc1: -33.9382type: NMR SpectrumDECIM: 1664aqMod: 3isFid: falsetdOff: 0title: Parameter file, TOPSPIN Version 3.2DSPFVS: 20nucleus: 1Hreverse: falsesolvent: MeODdimension: 1increment: 10.0121665463791isComplex: trueprobeName: 5 mm CPTCI 1H-13C/15N/D Z-GRD Z75812/0071experiment: 1dgroupDelay: 67.9841613769531temperature: 300.001spectrumSize: 65536baseFrequency: 600.23fieldStrength: 14.097359000453913numberOfScans: 1pulseSequence: zgspectralWidth: 20.0243330927582numberOfPoints: 3relaxationTime: 1acquisitionTime: 0.0000831999999999996frequencyOffset: 1264.3100000104823originFrequency: 600.23126431pulseStrength90: 34482.75862068965experimentNumber: 0acquisitionScheme: 0linearPredictionBin: 65536lpNumberOfCoefficients: 512windowMultiplicationMode: 1

Chemical Info

InChI	InChI=1S/C15H24O2/c1-10-7-12(17)8-13-11(2)14(3,9-16)5-6-15(10,13)4/h7,11,13,16H,5-6,8-9H2,1-4H3/t11-,13+,14-,15-/m1/s1
SMILES	CC1=CC(=O)C[C@H]2[C@@H](C)[C@@](C)(CO)CC[C@]12C
InChI Key	WGASFLVJNBOWPQ-FAAHXZRKSA-N

Data and Resources

pyruvate-3-13C - unlabeled.1dHTML
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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p20.s99.d555
License URL
Source	https://nmrxiv.org/D555
Version
Author	Fernanda O. Chagas, Leandro M. Garrido, Raphael Conti, Ricardo M. Borges, Vincent A. Bielinski, Gabriel Padilla, Mônica T. Pupo
Maintainer
Language	english
MetadataCreated	2024-04-22T15:38:40.220989
MetadataModified	2024-09-23T09:28:34.473376
MetadataPublished	2023-12-21 09:36:15

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : MeOD acquisition nucleus : ['1H'] NMR spectrum by dimensionality : 1 NMR probe : 5 mm CPTCI 1H-13C/15N/D Z-GRD Z75812/0071 Temperature : 300.001 K magnetic field strength : 14.097359000453913 Tesla number of scans : 1 scans nuclear magnetic resonance pulse sequence : zg Spectral Width : 20.0243330927582 number of data points : 3 points relaxation time measurement : 1 seconds

Data-Source Molecule ID	Data-Source
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