Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C13H14F3N3O/c1-12(2,3)11(20)17-10-7-5-4-6-8(13(14,15)16)9(7)18-19-10/h4-6H,1-3H3,(H2,17,18,19,20)
SMILES O=C(C(C)(C)C)Nc1n[nH]c2c1cccc2C(F)(F)F
InChI Key UWCPYXWYHKHHEQ-UHFFFAOYSA-N
Molecular Formula C13H14F3N3O
Exact Mass 285.265 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UWCPYXWYHKHHEQ-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/UWCPYXWYHKHHEQ-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 2,2-dimethyl-N-[7-(trifluoromethyl)-1H-indazol-3-yl]propanamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453747 PubChem
    The data in this table is sourced from UniChem at EBI.