Dataset

20170302_WHE245909-COL1.MP300[PROTON_01.fid]

This dataset contains NMR spectra obtained for the sample -20170302_WHE245909-COL1.MP300 name: PROTON_01.fid phc0: -84.836981098 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 26 baseFrequency: 300.145539457 spectralWidth: 16.00248324872443 numberOfPoints: 8192 frequencyOffset: 1800.8710000003703 originFrequency: 300.147340328

Chemical Information

molecular Image
InChI InChI=1S/C20H30O4/c1-13-8-7-9-16-11-17(23-14(2)21)15(12-20(13,16)6)10-18(22)24-19(3,4)5/h9,11,13,15H,7-8,10,12H2,1-6H3/t13-,15+,20+/m0/s1
SMILES CC(=O)OC1=CC2=CCC[C@H](C)[C@@]2(C)C[C@H]1CC(=O)OC(C)(C)C
InChI Key MBWIREGTABCVLT-XBHMSOGKSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p117.s1221.d5218
License URL https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode
Source //nmrxiv.org/D5218
Version
Author
Maintainer
Language english
MetadataPublished 2025-06-05 13:49:37
Related Molecule
  • nfdi4chem-mol3713 (Unknown Molecule)
    • Field Value
    Measurement Technique
    Measurement Variables
    NMR solvent : cdcl3

    acquisition nucleus : ['1H']

    NMR spectrum by dimensionality : 1

    NMR probe :

    Temperature : 26 K

    magnetic field strength : Tesla

    number of scans : scans

    nuclear magnetic resonance pulse sequence :

    Spectral Width : 16.00248324872443

    number of data points : 8192 points

    relaxation time measurement : seconds

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