Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C23H16F3NO/c24-23(25,26)18-12-10-16(11-13-18)14-27-15-20(19-8-4-5-9-21(19)27)22(28)17-6-2-1-3-7-17/h1-13,15H,14H2
SMILES O=C(c1cn(c2c1cccc2)Cc1ccc(cc1)C(F)(F)F)c1ccccc1
InChI Key NJLFBDWFRVYECV-UHFFFAOYSA-N
Molecular Formula C23H16F3NO
Exact Mass 379.374 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NJLFBDWFRVYECV-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/NJLFBDWFRVYECV-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • phenyl-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]methanone
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453638 PubChem
    The data in this table is sourced from UniChem at EBI.