Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

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/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/LCFXLZAXGXOXAP-QPJJXVBHSA-N/CHMO0001146
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 single quantum coherence
    Measurement Variables
    title : SVS-CC01024

    date : 20240304

    starting time : 21.32 h

    label : SVS-2866

    id : 297900

    Solvent : MeOD

    temperature : 300.1 K

    PULPROG : hsqcedetgp

    number of scans : 2 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    1023230 surechembl
    6400537 pubchem
    WITSIB CCDC
    DTXSID701268244 comptox
    Molport-000-679-504 molport
    The data in this table is sourced from UniChem at EBI.