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/C7H5BrO/c8-7-3-1-2-6(4-7)5-9/h1-5H
SMILES O=Cc1cccc(c1)Br
InChI Key SUISZCALMBHJQX-UHFFFAOYSA-N
Molecular Formula C7H5BrO
Exact Mass 185.018 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SUISZCALMBHJQX-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/SUISZCALMBHJQX-UHFFFAOYSA-N/CHMO0001146
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-01
Related Molecule
  • 3-bromobenzaldehyde
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1568619 ChEMBL
    32279 Brenda
    J30.726B Nikkaji
    DTXSID4027521 EPA CompTox Dashboard
    W0ARD2ZJ82 FDA SRS
    484507 eMolecules
    15340052 PubChem: Thomson Pharma
    3132-99-8 ACToR
    MCULE-2091851410 Mcule
    SCHEMBL4290 SureChEMBL
    10018747 NMRShiftDB
    76583 PubChem
    CB9315482 ChemicalBook
    124427 Brenda
    55794 Brenda
    16606 Brenda
    ZINC000002504374 ZINC
    The data in this table is sourced from UniChem at EBI.