Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

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/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/LCFXLZAXGXOXAP-QPJJXVBHSA-N/CHMO0000595
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 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : SVS-CC01024

    Date : 20240304

    Start time : 18.01 h

    Label : SVS-2866

    ID : 297900

    Solvent : MeOD

    Temperature : 300.0 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : spect

    Data-Source Molecule ID Data-Source
    6400537 PubChem
    16093214 PubChem: Thomson Pharma
    17720529 eMolecules
    SCHEMBL498412 SureChEMBL
    J296.696D Nikkaji
    ZINC000006783737 ZINC
    J217.715C Nikkaji
    WITSIB CCDC
    CB6234638 ChemicalBook
    The data in this table is sourced from UniChem at EBI.