Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

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/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/PCLIMKBDDGJMGD-UHFFFAOYSA-N/CHMO0000599
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-07-09
Related Molecule
  • 1-bromopyrrolidine-2,5-dione
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    FOFSEB CCDC
    ZINC000001555229 ZINC
    DTXSID2038738 EPA CompTox Dashboard
    J5.405D Nikkaji
    224585 Brenda
    208 Brenda
    53174 ChEBI
    30100937 NMRShiftDB
    MCULE-6561724377 Mcule
    57851 Brenda
    132282 Brenda
    123198 Brenda
    6742 Brenda
    49243 Brenda
    48063 Brenda
    CB2234049 ChemicalBook
    486290 eMolecules
    15219625 PubChem: Thomson Pharma
    128-08-5 ACToR
    67184 PubChem
    K8G1F2UCJF FDA SRS
    SCHEMBL58 SureChEMBL
    The data in this table is sourced from UniChem at EBI.