Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C8H6N2O/c11-10-6-5-9-7-3-1-2-4-8(7)10/h1-6H
SMILES [O-][n+]1ccnc2c1cccc2
InChI Key OARGFWQSVACNCO-UHFFFAOYSA-N
Molecular Formula C8H6N2O
Exact Mass 146.146 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OARGFWQSVACNCO-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/OARGFWQSVACNCO-UHFFFAOYSA-N/CHMO0000595
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-05
Related Molecule
  • 1-oxidoquinoxalin-1-ium
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    3726572 eMolecules
    163530272 PubChem: Thomson Pharma
    6935-29-1 ACToR
    KORTOD CCDC
    ZINC000000333208 ZINC
    DTXSID10219388 EPA CompTox Dashboard
    J84.971E Nikkaji
    23363 PubChem
    SCHEMBL240893 SureChEMBL
    20054364 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.