Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C6H6BrNO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2
SMILES Brc1ccc(c(c1)N)O
InChI Key JHRIPENGTGSNPJ-UHFFFAOYSA-N
Exact Mass 188.022 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JHRIPENGTGSNPJ-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/JHRIPENGTGSNPJ-UHFFFAOYSA-N/CHMO0000595
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-09
Related Molecule
  • 2-amino-4-bromophenol
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : GH_4-amino-2-bromophenol_DMSO

    Date : 20240720

    Start time : 7.51 h

    Label : GEH-25

    ID : 118077

    Solvent : DMSO

    Temperature : 298.0 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : AVIII300

    Data-Source Molecule ID Data-Source
    282322 surechembl
    351840 pubchem
    163884 brenda
    DTXSID00326075 comptox
    Molport-001-768-234 molport
    The data in this table is sourced from UniChem at EBI.