Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

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/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/JHRIPENGTGSNPJ-UHFFFAOYSA-N/CHMO0001146
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-09
Related Molecule
  • 2-amino-4-bromophenol
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    title : GH_40925-68-6_DMSO_Full

    date : 20240617

    starting time : 20.44 h

    label : GEH-25

    id : 118077

    Solvent : DMSO

    temperature : 298.0 K

    PULPROG : hsqcedetgpsp.3

    number of scans : 2 scans

    instrument : AVIII300

    Data-Source Molecule ID Data-Source
    1103505 eMolecules
    40925-68-6 ACToR
    26523401 PubChem: Thomson Pharma
    SCHEMBL282322 SureChEMBL
    163884 Brenda
    CB9260256 ChemicalBook
    J89.384F Nikkaji
    DTXSID00326075 EPA CompTox Dashboard
    ZINC000000078184 ZINC
    MCULE-6355681750 Mcule
    351840 PubChem
    The data in this table is sourced from UniChem at EBI.