Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C5H3BrN2O2/c6-5-3-4(8(9)10)1-2-7-5/h1-3H
SMILES Brc1nccc(c1)[N+](=O)[O-]
InChI Key AFVITJKRFRRQKT-UHFFFAOYSA-N
Molecular Formula C5H3BrN2O2
Exact Mass 202.994 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AFVITJKRFRRQKT-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/AFVITJKRFRRQKT-UHFFFAOYSA-N/CHMO0001148
Version
Author Jana Barylko
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-04-29
Related Molecule
  • 2-bromo-4-nitropyridine
    • Field Value
    Measurement Technique 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    6945-67-1 ACToR
    SCHEMBL3143209 SureChEMBL
    243015 PubChem
    MCULE-3149669762 Mcule
    DTXSID30287685 EPA CompTox Dashboard
    CB9303157 ChemicalBook
    ZINC000001296687 ZINC
    3718391 eMolecules
    The data in this table is sourced from UniChem at EBI.