Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C5H3BrIN/c6-4-2-1-3-5(7)8-4/h1-3H
SMILES Brc1cccc(n1)I
InChI Key KJOQMWRTNVBXEV-UHFFFAOYSA-N
Molecular Formula C5H3BrIN
Exact Mass 283.892 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KJOQMWRTNVBXEV-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/KJOQMWRTNVBXEV-UHFFFAOYSA-N/CHMO0000601
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-01-27
Related Molecule
  • 2-bromo-6-iodopyridine
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    11473853 eMolecules
    234111-08-1 ACToR
    SCHEMBL2934396 SureChEMBL
    16401205 PubChem: Thomson Pharma
    11312130 PubChem
    20233919 NMRShiftDB
    ZINC000016124076 ZINC
    J1.108.539C Nikkaji
    CB0286736 ChemicalBook
    DTXSID60462044 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.