Dataset

glucose-1-13C - unlabeled.1d

This dataset contains NMR spectra obtained for the sample -glucose-1-13C - unlabeleddate: 2016-09-06T01:28:06.000ZisFt: falsename: glucose-1-13C - unlabeled/0phc0: 164.9218phc1: 42.66162type: NMR FIDDECIM: 6aqMod: 1isFid: truetdOff: 0title: Parameter file, TOPSPIN Version 2.1DSPFVS: 10nucleus: 13Creverse: falsesolvent: MeODdimension: 1increment: 0.000020850000000000022isComplex: trueprobeName: 5 mm Dual 13C/1H Z3756/0186experiment: 1dgroupDelay: -1temperature: 300spectrumSize: 32768baseFrequency: 100.612769digitalFilter: 59.08333333333333fieldStrength: 9.395689478854546numberOfScans: 5120pulseSequence: zgig30spectralWidth: 238.323801812239numberOfPoints: 3relaxationTime: 2acquisitionTime: 0.000041700000000000045frequencyOffset: 10060.802853004701originFrequency: 100.622829802853pulseStrength90: 31250experimentNumber: 0acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1date: 2016-09-06T01:28:06.000ZisFt: truename: glucose-1-13C - unlabeled/0phc0: 164.9218phc1: 42.66162type: NMR SpectrumDECIM: 6aqMod: 1isFid: falsetdOff: 0title: Parameter file, TOPSPIN Version 2.1DSPFVS: 10nucleus: 13Creverse: falsesolvent: MeODdimension: 1increment: 119.1619009061195isComplex: trueprobeName: 5 mm Dual 13C/1H Z3756/0186experiment: 1dgroupDelay: -1temperature: 300spectrumSize: 32768baseFrequency: 100.612769fieldStrength: 9.395689478854546numberOfScans: 5120pulseSequence: zgig30spectralWidth: 238.323801812239numberOfPoints: 3relaxationTime: 2acquisitionTime: 0.000041700000000000045frequencyOffset: 10060.802853004701originFrequency: 100.622829802853pulseStrength90: 31250experimentNumber: 0acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1date: 2016-09-05T20:35:21.000ZisFt: falsename: glucose-1-13C - unlabeled/0phc0: 84.01418phc1: 18.08858type: NMR FIDDECIM: 16aqMod: 3isFid: truetdOff: 0title: Parameter file, TOPSPIN Version 2.1DSPFVS: 12nucleus: 1Hreverse: falsesolvent: MeODdimension: 1increment: 0.00006039999999999997isComplex: trueprobeName: 5 mm Dual 13C/1H Z3756/0186experiment: 1dgroupDelay: -1temperature: 300spectrumSize: 32768baseFrequency: 400.13digitalFilter: 71.625fieldStrength: 9.397691313082694numberOfScans: 16pulseSequence: zg30spectralWidth: 20.6885126702362numberOfPoints: 5relaxationTime: 1acquisitionTime: 0.00024159999999999988frequencyOffset: 2470.966543000941originFrequency: 400.132470966543pulseStrength90: 20833.333333333332experimentNumber: 0acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1date: 2016-09-05T20:35:21.000ZisFt: truename: glucose-1-13C - unlabeled/0phc0: 84.01418phc1: 18.08858type: NMR SpectrumDECIM: 16aqMod: 3isFid: falsetdOff: 0title: Parameter file, TOPSPIN Version 2.1DSPFVS: 12nucleus: 1Hreverse: falsesolvent: MeODdimension: 1increment: 5.17212816755905isComplex: trueprobeName: 5 mm Dual 13C/1H Z3756/0186experiment: 1dgroupDelay: -1temperature: 300spectrumSize: 32768baseFrequency: 400.13fieldStrength: 9.397691313082694numberOfScans: 16pulseSequence: zg30spectralWidth: 20.6885126702362numberOfPoints: 5relaxationTime: 1acquisitionTime: 0.00024159999999999988frequencyOffset: 2470.966543000941originFrequency: 400.132470966543pulseStrength90: 20833.333333333332experimentNumber: 0acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 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

glucose-1-13C - unlabeled.1dHTML
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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p20.s100.d558
License URL
Source	https://nmrxiv.org/D558
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	2024-04-22T15:38:26.968350
MetadataModified	2024-09-23T09:28:32.282326
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 Dual 13C/1H Z3756/0186 Temperature : 300 K magnetic field strength : 9.397691313082694 Tesla number of scans : 16 scans nuclear magnetic resonance pulse sequence : zg30 Spectral Width : 20.6885126702362 number of data points : 5 points relaxation time measurement : 1 seconds

Data-Source Molecule ID	Data-Source
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