Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H19F3/c1-15(2,3)12-8-9-13(11-6-4-5-7-11)14(10-12)16(17,18)19/h6,8-10H,4-5,7H2,1-3H3
SMILES FC(c1cc(ccc1C1=CCCC1)C(C)(C)C)(F)F
InChI Key FNRGVZOIYQQEEX-UHFFFAOYSA-N
Molecular Formula C16H19F3
Exact Mass 268.317 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FNRGVZOIYQQEEX-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/FNRGVZOIYQQEEX-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 4-tert-butyl-1-(cyclopenten-1-yl)-2-(trifluoromethyl)benzene
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427450 PubChem
    The data in this table is sourced from UniChem at EBI.