Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H8BrF3O/c15-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(19)14(16,17)18/h1-8H
SMILES O=C(C(F)(F)F)c1ccc(cc1)c1ccc(cc1)Br
InChI Key JEYJVNRENCIQJH-UHFFFAOYSA-N
Molecular Formula C14H8BrF3O
Exact Mass 329.112 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JEYJVNRENCIQJH-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5
License URL
Source https://www.chemotion-repository.net/inchikey/JEYJVNRENCIQJH-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5
Version
Author Irina Protasova
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 1-[4-(4-bromophenyl)phenyl]-2,2,2-trifluoroethanone
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    11077990 pubchem
    Molport-053-179-059 molport
    The data in this table is sourced from UniChem at EBI.