Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C10H7Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
SMILES Brc1ccc2c(c1)cccc2
InChI Key APSMUYYLXZULMS-UHFFFAOYSA-N
Molecular Formula C10H7Br
Exact Mass 207.067 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/APSMUYYLXZULMS-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/APSMUYYLXZULMS-UHFFFAOYSA-N/CHMO0000604
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-04-30
Related Molecule
  • 2-bromonaphthalene
    • Field Value
    Measurement Technique heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL192643 chembl
    154221 surechembl
    29485684 surechembl
    11372 pubchem
    SYU33I753N fdasrs
    PD218427 probes_and_drugs
    BRNAPT CCDC
    125368 brenda
    Molport-001-759-995 molport
    50159272 bindingdb
    The data in this table is sourced from UniChem at EBI.