Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C13H15F3/c1-12(2,3)11-6-4-10(5-7-11)8-9-13(14,15)16/h4-9H,1-3H3
SMILES FC(C=Cc1ccc(cc1)C(C)(C)C)(F)F
InChI Key QAHIAMLOAHKKKG-UHFFFAOYSA-N
Molecular Formula C13H15F3
Exact Mass 228.253 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QAHIAMLOAHKKKG-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/QAHIAMLOAHKKKG-UHFFFAOYSA-N/IR
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 1-tert-butyl-4-(3,3,3-trifluoroprop-1-enyl)benzene
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    29521591 surechembl
    73427424 pubchem
    The data in this table is sourced from UniChem at EBI.