Dataset

3-Hydroxy-sedanonic acid lactone[2]

This dataset contains NMR spectra obtained for the sample -3-Hydroxy-sedanonic acid lactone date: Thu, 02 Nov 2023 15:54:02 GMT isFt: true name: /nmrxiv/production/archive/276d7d35-a4e1-473c-9b62-6b899b0dd2c8/3-Hydroxy-sedanonic%20acid%20lactone.zip/3-Hydroxy-sedanonic acid lactone/2 phc0: -89.9764 phc1: -79.3173 type: NMR Spectrum aqMod: 1 decim: 6 epoch: 1698940442000 isFid: false owner: Administrator tdOff: 0 title: Parameter file, TopSpin 3.6.4 dspfvs: 10 creator: 5bruker biospin gmbh nucleus: 13C reverse: false solvent: MeOD dimension: 1 increment: 0.007325882271941343 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z824801/0120 experiment: 1d groupDelay: -1 localeDate: 2023/11/2 23:54:02 scaleFactor: 1 temperature: 296.86 spectrumSize: 32768 baseFrequency: 100.612769 fieldStrength: 9.395689478854546 numberOfScans: 6000 pulseSequence: zgpg30 spectralWidth: 240.047184404702 numberOfPoints: 32768 relaxationTime: 2 acquisitionTime: 0.678276899999998 frequencyOffset: 11570.468434996428 originFrequency: 100.624339468435 pulseStrength90: 42881.64665523156 experimentNumber: 2 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: Fri, 10 Nov 2023 08:12:41 GMT isFt: true name: /nmrxiv/production/archive/276d7d35-a4e1-473c-9b62-6b899b0dd2c8/3-Hydroxy-sedanonic%20acid%20lactone.zip/3-Hydroxy-sedanonic acid lactone/1 phc0: -100.026 phc1: 30.11077 type: NMR Spectrum aqMod: 3 decim: 2080 epoch: 1699603961000 isFid: false owner: nmrsu tdOff: 0 title: Parameter file, TopSpin 3.6.4 dspfvs: 20 creator: 5bruker biospin gmbh nucleus: 1H reverse: false solvent: MeOD dimension: 1 increment: 0.00024447282628146027 isComplex: true probeName: 5 mm CPTCI 1H-13C/15N/D Z-GRD Z117768/0031 experiment: 1d groupDelay: 67.9842071533203 localeDate: 2023/11/10 16:12:41 scaleFactor: 0.00390625 temperature: 298.1474 spectrumSize: 65536 baseFrequency: 600.15 fieldStrength: 14.09548007284277 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 16.0215266703555 numberOfPoints: 65536 relaxationTime: 1 acquisitionTime: 3.407819999999996 frequencyOffset: 4081.0200000578334 originFrequency: 600.15408102 pulseStrength90: 34916.20111731844 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1

Chemical Information

InChI	InChI=1S/C12H16O3/c1-2-3-7-10-8-5-4-6-9(13)11(8)12(14)15-10/h7,9,13H,2-6H2,1H3/b10-7-/t9-/m0/s1
SMILES	CCC/C=C1\OC(=O)C2=C1CCC[C@@H]2O
InChI Key	XRLXVQNUHCJHDH-CBFJXKFUSA-N

Data and Resources

3-Hydroxy-sedanonic acid lactone[2]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p107.s1132.d4907
License URL	https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source	https://nmrxiv.org/D4907
Version
Author
Maintainer
Language	english
MetadataPublished	2025-04-27T04:16:02.000000Z
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : MeOD acquisition nucleus : ['13C'] NMR spectrum by dimensionality : 1 NMR probe : 5 mm PABBO BB-1H/D Z-GRD Z824801/0120 Temperature : 296.86 K magnetic field strength : 9.395689478854546 Tesla number of scans : 6000 scans nuclear magnetic resonance pulse sequence : zgpg30 Spectral Width : 240.047184404702 number of data points : 32768 points relaxation time measurement : 2 seconds

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.