Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C22H17F3/c23-20-12-18(13-21(24)22(20)25)19-11-16-6-5-14-1-3-15(4-2-14)7-9-17(19)10-8-16/h1-4,8,10-13H,5-7,9H2
SMILES Fc1c(F)cc(cc1F)c1cc2ccc1CCc1ccc(CC2)cc1
InChI Key PLCVPBSCAVALMZ-UHFFFAOYSA-N
Molecular Formula C22H17F3
Exact Mass 338.366 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PLCVPBSCAVALMZ-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/PLCVPBSCAVALMZ-UHFFFAOYSA-N/CHMO0000593
Version
Author Daniel Knoll
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-05-21
Related Molecule
  • 5-(3,4,5-trifluorophenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146036890 pubchem
    The data in this table is sourced from UniChem at EBI.