Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C10H7Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
SMILES Brc1cccc2c1cccc2
InChI Key DLKQHBOKULLWDQ-UHFFFAOYSA-N
Molecular Formula C10H7Br
Exact Mass 207.067 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DLKQHBOKULLWDQ-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/DLKQHBOKULLWDQ-UHFFFAOYSA-N/CHMO0000604
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-15
Related Molecule
  • 1-bromonaphthalene
    • Field Value
    Measurement Technique heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-2189465084 Mcule
    10016004 NMRShiftDB
    J32.579A Nikkaji
    ZINC000001693600 ZINC
    DECPUZ CCDC
    DTXSID30861681 EPA CompTox Dashboard
    CB5197277 ChemicalBook
    7001 PubChem
    90-11-9 ACToR
    475359 eMolecules
    976Y53P08P FDA SRS
    14773214 PubChem: Thomson Pharma
    27497-51-4 ACToR
    SCHEMBL69629 SureChEMBL
    The data in this table is sourced from UniChem at EBI.