Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C8H7BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
SMILES BrCC(=O)c1ccccc1
InChI Key LIGACIXOYTUXAW-UHFFFAOYSA-N
Molecular Formula C8H7BrO
Exact Mass 199.045 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LIGACIXOYTUXAW-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/LIGACIXOYTUXAW-UHFFFAOYSA-N/CHMO0000601
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-01-08
Related Molecule
  • 2-bromo-1-phenylethanone
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.