Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C27H18F3NO/c28-27(29,30)20-14-12-18(13-15-20)16-31-17-24(22-9-3-4-11-25(22)31)26(32)23-10-5-7-19-6-1-2-8-21(19)23/h1-15,17H,16H2
SMILES O=C(c1cccc2c1cccc2)c1cn(c2c1cccc2)Cc1ccc(cc1)C(F)(F)F
InChI Key OACCLBUDVIDJBI-UHFFFAOYSA-N
Molecular Formula C27H18F3NO
Exact Mass 429.433 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OACCLBUDVIDJBI-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/OACCLBUDVIDJBI-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • naphthalen-1-yl-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]methanone
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453864 pubchem
    The data in this table is sourced from UniChem at EBI.