Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C5H3Br2N/c6-4-2-1-3-5(7)8-4/h1-3H
SMILES Brc1cccc(n1)Br
InChI Key FEYDZHNIIMENOB-UHFFFAOYSA-N
Molecular Formula C5H3Br2N
Exact Mass 236.892 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FEYDZHNIIMENOB-UHFFFAOYSA-N/CHMO0000604.1
License URL
Source https://www.chemotion-repository.net/inchikey/FEYDZHNIIMENOB-UHFFFAOYSA-N/CHMO0000604.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-10-10
Related Molecule
  • 2,6-dibromopyridine
    • Field Value
    Measurement Technique heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID30211642 EPA CompTox Dashboard
    ZINC000000164590 ZINC
    J32.652F Nikkaji
    CB2299002 ChemicalBook
    14847344 PubChem: Thomson Pharma
    626-05-1 ACToR
    499772 eMolecules
    D9SBA5R353 FDA SRS
    SCHEMBL3973 SureChEMBL
    12274 PubChem
    MCULE-3668591683 Mcule
    The data in this table is sourced from UniChem at EBI.