Dataset

20170223_WHE245906-COL2.MP300[PROTON_01.fid]

This dataset contains NMR spectra obtained for the sample -20170223_WHE245906-COL2.MP300 name: PROTON_01.fid phc0: -83.5674098535 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/C18H28O3/c1-12-7-6-8-14-10-15(19)13(11-18(12,14)5)9-16(20)21-17(2,3)4/h10,12-13H,6-9,11H2,1-5H3/t12-,13+,18+/m0/s1
SMILES C[C@H]1CCCC2=CC(=O)[C@H](CC(=O)OC(C)(C)C)C[C@@]21C
InChI Key DHIDUVIXIJJUFD-VEVIJQCQSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p117.s1212.d5209
License URL https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode
Source //nmrxiv.org/D5209
Version
Author
Maintainer
Language english
MetadataPublished 2025-06-05 13:49:37
Related Molecule
  • nfdi4chem-mol8093 (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.