Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C14H8N2O4/c17-13(18)7-1-3-9-10-4-2-8(14(19)20)6-12(10)16-15-11(9)5-7/h1-6H,(H,17,18)(H,19,20)
SMILES OC(=O)c1ccc2c(c1)nnc1c2ccc(c1)C(=O)O
InChI Key BOVRXMAPNVLKEZ-UHFFFAOYSA-N
Molecular Formula C14H8N2O4
Exact Mass 268.224 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BOVRXMAPNVLKEZ-UHFFFAOYSA-N/1HNMR
License URL
Source https://www.chemotion-repository.net/inchikey/BOVRXMAPNVLKEZ-UHFFFAOYSA-N/1HNMR
Version
Author Patrick Hodapp
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-04-10
Related Molecule
  • benzo[c]cinnoline-3,8-dicarboxylic acid
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J3.021.287H Nikkaji
    20512361 PubChem
    SCHEMBL11192391 SureChEMBL
    The data in this table is sourced from UniChem at EBI.