Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C8H4Br2N2O2/c9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5/h1-2H,(H,11,13)(H,12,14)
SMILES Brc1cc2[nH]c(=O)c(=O)[nH]c2cc1Br
InChI Key FVXPGHAWNRHHJD-UHFFFAOYSA-N
Exact Mass 319.938 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FVXPGHAWNRHHJD-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/FVXPGHAWNRHHJD-UHFFFAOYSA-N/CHMO0000595
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 6,7-dibromo-1,4-dihydroquinoxaline-2,3-dione
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL139694 chembl
    4704929 surechembl
    4705252 surechembl
    15021835 pubchem
    Molport-046-419-371 molport
    The data in this table is sourced from UniChem at EBI.