Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C4H4BrNO2/c5-6-3(7)1-2-4(6)8/h1-2H2
SMILES BrN1C(=O)CCC1=O
InChI Key PCLIMKBDDGJMGD-UHFFFAOYSA-N
Molecular Formula C4H4BrNO2
Exact Mass 177.984 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PCLIMKBDDGJMGD-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/PCLIMKBDDGJMGD-UHFFFAOYSA-N/CHMO0000601
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-07-09
Related Molecule
  • 1-bromopyrrolidine-2,5-dione
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:53174 chebi
    10376304 surechembl
    2201542 surechembl
    58 surechembl
    67184 pubchem
    K8G1F2UCJF fdasrs
    FOFSEB CCDC
    123198 brenda
    132282 brenda
    208 brenda
    224585 brenda
    48063 brenda
    49243 brenda
    57851 brenda
    6742 brenda
    Molport-000-152-403 molport
    The data in this table is sourced from UniChem at EBI.