Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C16H12F3N3O/c17-16(18,19)12-8-4-7-11-14(12)21-22-15(11)20-13(23)9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,20,21,22,23)
SMILES O=C(Nc1n[nH]c2c1cccc2C(F)(F)F)Cc1ccccc1
InChI Key KDRGHQUXYJMOLQ-UHFFFAOYSA-N
Molecular Formula C16H12F3N3O
Exact Mass 319.281 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KDRGHQUXYJMOLQ-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/KDRGHQUXYJMOLQ-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 2-phenyl-N-[7-(trifluoromethyl)-1H-indazol-3-yl]acetamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453545 PubChem
    The data in this table is sourced from UniChem at EBI.