Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C11H7BrO2/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6H,(H,13,14)
SMILES Brc1ccc2c(c1)ccc(c2)C(=O)O
InChI Key NPMCAVBMOTZUPD-UHFFFAOYSA-N
Molecular Formula C11H7BrO2
Exact Mass 251.076 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NPMCAVBMOTZUPD-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/NPMCAVBMOTZUPD-UHFFFAOYSA-N/CHMO0000601
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-01-08
Related Molecule
  • 6-bromonaphthalene-2-carboxylic acid
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    203205 surechembl
    30020656 surechembl
    4549852 pubchem
    Molport-003-986-975 molport
    The data in this table is sourced from UniChem at EBI.