Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C7H6BrNO/c8-7-4-2-1-3-6(7)5-9-10/h1-5,10H/b9-5+
SMILES O/N=C/c1ccccc1Br
InChI Key PSIRFUPZHPEKAE-WEVVVXLNSA-N
Exact Mass 200.033 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PSIRFUPZHPEKAE-WEVVVXLNSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/PSIRFUPZHPEKAE-WEVVVXLNSA-N/CHMO0000595
Version
Author Robert Göstl
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-11-03
Related Molecule
  • (NE)-N-[(2-bromophenyl)methylidene]hydroxylamine
    • Field Value
    Measurement Technique CHMO:0000595
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J1.136.383K Nikkaji
    AYULIQ CCDC
    ZINC000016123612 ZINC
    CB1186486 ChemicalBook
    886317 eMolecules
    57415385 PubChem: Thomson Pharma
    SCHEMBL2649562 SureChEMBL
    MCULE-3753567087 Mcule
    6876022 PubChem
    The data in this table is sourced from UniChem at EBI.