Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C9H9N5/c1-13-6-9-10-11-12-14(9)8-5-3-2-4-7(8)13/h2-5H,6H2,1H3
SMILES CN1Cc2nnnn2-c2c1cccc2
InChI Key VJXDMNNLLZYTRN-UHFFFAOYSA-N
Molecular Formula C9H9N5
Exact Mass 187.201 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VJXDMNNLLZYTRN-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/VJXDMNNLLZYTRN-UHFFFAOYSA-N/CHMO0000595
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-02-11
Related Molecule
  • 5-methyl-4H-tetrazolo[1,5-a]quinoxaline
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID80615398 EPA CompTox Dashboard
    21514050 PubChem
    SCHEMBL11842040 SureChEMBL
    The data in this table is sourced from UniChem at EBI.