Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C5H6N2O3/c1-2-10-5(8)4(3-6)7-9/h9H,2H2,1H3/b7-4+
SMILES CCOC(=O)/C(=N/O)/C#N
InChI Key LCFXLZAXGXOXAP-QPJJXVBHSA-N
Molecular Formula C5H6N2O3
Exact Mass 142.113 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LCFXLZAXGXOXAP-QPJJXVBHSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/LCFXLZAXGXOXAP-QPJJXVBHSA-N/CHMO0001148
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-11-08
Related Molecule
  • ethyl (2E)-2-cyano-2-hydroxyiminoacetate
    • Field Value
    Measurement Technique 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    title : SVS-CC01024

    date : 20240304

    starting time : 22.01 h

    label : SVS-2866

    id : 297900

    Solvent : MeOD

    temperature : 300.0 K

    PULPROG : hmbcgpndqf

    number of scans : 8 scans

    instrument : spect

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