Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Info

molecular Image
InChI InChI=1S/C15H12Br2F2O2/c1-20-13-5-3-9(7-11(13)16)15(18,19)10-4-6-14(21-2)12(17)8-10/h3-8H,1-2H3
SMILES COc1ccc(cc1Br)C(c1ccc(c(c1)Br)OC)(F)F
InChI Key KBHVITRTCBPLGU-UHFFFAOYSA-N
Molecular Formula C15H12Br2F2O2
Exact Mass 422.059 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KBHVITRTCBPLGU-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/KBHVITRTCBPLGU-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2-bromo-4-[(3-bromo-4-methoxyphenyl)-difluoromethyl]-1-methoxybenzene
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427456 PubChem
    The data in this table is sourced from UniChem at EBI.