Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C22H20Br2/c1-13-11-21(23)15(3)9-19(13)17-5-7-18(8-6-17)20-10-16(4)22(24)12-14(20)2/h5-12H,1-4H3
SMILES Cc1cc(Br)c(cc1c1ccc(cc1)c1cc(C)c(cc1C)Br)C
InChI Key BVWZNESRMMDVAS-UHFFFAOYSA-N
Molecular Formula C22H20Br2
Exact Mass 444.202 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BVWZNESRMMDVAS-UHFFFAOYSA-N/NMR/13C/CDCl3/125
License URL
Source https://www.chemotion-repository.net/inchikey/BVWZNESRMMDVAS-UHFFFAOYSA-N/NMR/13C/CDCl3/125
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 1-bromo-4-[4-(4-bromo-2,5-dimethylphenyl)phenyl]-2,5-dimethylbenzene
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427290 PubChem
    The data in this table is sourced from UniChem at EBI.