Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C7H6BrNO3/c1-4-2-5(8)7(10)3-6(4)9(11)12/h2-3,10H,1H3
SMILES [O-][N+](=O)c1cc(O)c(cc1C)Br
InChI Key UNDCYNWWVCTFES-UHFFFAOYSA-N
Molecular Formula C7H6BrNO3
Exact Mass 232.031 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UNDCYNWWVCTFES-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/UNDCYNWWVCTFES-UHFFFAOYSA-N/CHMO0000593
Version
Author Niklas Krappel
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-07-31
Related Molecule
  • 2-bromo-4-methyl-5-nitrophenol
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL9867327 SureChEMBL
    13884685 PubChem
    DTXSID90551859 EPA CompTox Dashboard
    ZINC000034175002 ZINC
    The data in this table is sourced from UniChem at EBI.