Dataset

1H[1]

Chemical Information

Molecular Image
InChI InChI=1S/C24H28N2O5.ClH/c1-14(5-11-20(27)26-17-8-6-16(12-25)7-9-17)4-10-18-22(28)21-19(13-31-24(21)29)15(2)23(18)30-3;/h4,6-9,28H,5,10-13,25H2,1-3H3,(H,26,27);1H/b14-4+;
SMILES COC1=C(C/C=C(\C)CCC(=O)NC2=CC=C(CN)C=C2)C(O)=C2C(=O)OCC2=C1C.Cl
InChI Key JIWGBJMTBBXTAK-BIZGWHPPSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p195.s2286.d8876
License URL
Source https://nmrxiv.org/D8876
Version
Author
Maintainer
Language english
MetadataPublished 2026-06-28T05:25:00.000000Z
Related Molecule
  • nfdi4chem-mol2377 (Unknown Molecule)
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    NMR solvent : DMSO

    acquisition nucleus : ['1H']

    NMR spectrum by dimensionality : 1

    NMR probe : Z122623_0029 (CPP BBO 400S1 BB-H&F-D-05 Z)

    Temperature : 298.0038 K

    magnetic field strength : 9.387122323771827 Tesla

    number of scans : 16 scans

    nuclear magnetic resonance pulse sequence : zg30

    Spectral Width : 19.9626589576715

    number of data points : 65536 points

    relaxation time measurement : 1 seconds

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