Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C16H16F3N5/c1-10(2)24-9-23-13-14(21-8-22-15(13)24)20-7-11-3-5-12(6-4-11)16(17,18)19/h3-6,8-10H,7H2,1-2H3,(H,20,21,22)
SMILES CC(n1cnc2c1ncnc2NCc1ccc(cc1)C(F)(F)F)C
InChI Key ZMCDNTWMTVMOAV-UHFFFAOYSA-N
Molecular Formula C16H16F3N5
Exact Mass 335.327 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZMCDNTWMTVMOAV-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/ZMCDNTWMTVMOAV-UHFFFAOYSA-N/IR
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 9-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427276 PubChem
    The data in this table is sourced from UniChem at EBI.