Dataset

9-10b[2]

This dataset contains NMR spectra obtained for the sample -9-10b date: 2020-05-28T15:25:05.000Z isFt: true name: 9-10b/1 phc0: -230.1776 phc1: 24.30192 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.4 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 0.5403966995817594 isComplex: true probeName: Z143298_0003 (PA TBI 500S1 H/C-BB-D-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298.149 spectrumSize: 65536 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 8 pulseSequence: zg30 spectralWidth: 19.9946778845251 numberOfPoints: 38 relaxationTime: 1 acquisitionTime: 0.001850000000001621 frequencyOffset: 3088.3019999805583 originFrequency: 500.133088302 pulseStrength90: 25000 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2020-05-28T16:00:15.000Z isFt: true name: 9-10b/2 phc0: -244.5697 phc1: 55.08686 type: NMR Spectrum DECIM: 672 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.4 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 59.1592163351985 isComplex: true probeName: Z143298_0003 (PA TBI 500S1 H/C-BB-D-05 Z) experiment: 1d groupDelay: 67.9838256835938 temperature: 298.1479 spectrumSize: 131072 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 64 pulseSequence: udeft spectralWidth: 236.636865340794 numberOfPoints: 5 relaxationTime: 4 acquisitionTime: 0.00006719999999999971 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 16666.666666666668 experimentNumber: 2 linearPredictionBin: 262144 lpNumberOfCoefficients: 4096 windowMultiplicationMode: 1

Chemical Information

molecular Image
InChI InChI=1S/C20H30O3/c1-19-8-7-12(21)9-11(19)3-4-13-14-5-6-15-18(22)23-17(10-16(13)19)20(14,15)2/h3,12-18,21-22H,4-10H2,1-2H3
SMILES CC12CCC(O)CC1=CCC1C2CC2OC(O)C3CCC1C23C
InChI Key HSPWINPGAQGAKL-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p69.s538.d2833
License URL https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode
Source https://nmrxiv.org/D2833
Version
Author
Maintainer
Language english
MetadataPublished 2024-06-05T22:00:45.000000Z
Related Molecule
  • nfdi4chem-mol5741 (Unknown Molecule)
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    NMR solvent : CDCl3

    acquisition nucleus : ['13C']

    NMR spectrum by dimensionality : 1

    NMR probe : Z143298_0003 (PA TBI 500S1 H/C-BB-D-05 Z)

    Temperature : 298.1479 K

    magnetic field strength : 11.743848641495527 Tesla

    number of scans : 64 scans

    nuclear magnetic resonance pulse sequence : udeft

    Spectral Width : 236.636865340794

    number of data points : 5 points

    relaxation time measurement : 4 seconds

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