Dataset

0_REAL_LIME_COUMARIN_NMR_LIME_COUMARIN_THIX-029C4B_3rd_col_mystery_cmpd_lime_peels_extract_06102024_FULL[17]

Chemical Information

molecular Image
InChI InChI=1S/C20H24O4/c1-14(2)6-5-7-15(3)10-11-23-18-13-17(22-4)12-16-8-9-19(21)24-20(16)18/h6,8-10,12-13H,5,7,11H2,1-4H3/b15-10+
SMILES COC1=CC(OC/C=C(\C)CCC=C(C)C)=C2OC(=O)C=CC2=C1
InChI Key RYLVZXZNMTZICA-XNTDXEJSSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p78.s678.d3388
License URL https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode
Source https://nmrxiv.org/D3388
Version
Author
Maintainer
Language english
MetadataPublished 2024-08-02T19:43:39.000000Z
Related Molecule
  • nfdi4chem-mol2533 (Unknown Molecule)
    • Field Value
    Measurement Technique heteronuclear single quantum coherence
    Measurement Variables
    NMR solvent : CDCl3

    acquisition nucleus : ['1H', '13C']

    NMR spectrum by dimensionality : 2

    NMR probe : Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z)

    Temperature : 298.15 K

    magnetic field strength : 11.746350827011339 Tesla

    number of scans : 20 scans

    nuclear magnetic resonance pulse sequence : hsqcedetgpsisp2.3

    Spectral Width : [12.983576218522, 164.962602395549]

    number of data points : 9 points

    relaxation time measurement : 1.5 seconds

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