Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C16H12Br2/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h3-10H,11-12H2
SMILES BrCc1ccc(cc1)C#Cc1ccc(cc1)CBr
InChI Key CJBZYJXEKPOKTB-UHFFFAOYSA-N
Molecular Formula C16H12Br2
Exact Mass 364.074 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CJBZYJXEKPOKTB-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/CJBZYJXEKPOKTB-UHFFFAOYSA-N/CHMO0000595
Version
Author Yichuan Wang
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-11-14
Related Molecule
  • 1-(bromomethyl)-4-[2-[4-(bromomethyl)phenyl]ethynyl]benzene
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15033041 PubChem
    J1.078.837D Nikkaji
    ZINC000196923444 ZINC
    The data in this table is sourced from UniChem at EBI.