Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C9H6F3N3/c10-9(11,12)7-8(13)15-6-4-2-1-3-5(6)14-7/h1-4H,(H2,13,15)
SMILES Nc1nc2ccccc2nc1C(F)(F)F
InChI Key STMGCUUVVSSYBM-UHFFFAOYSA-N
Molecular Formula C9H6F3N3
Exact Mass 213.159 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/STMGCUUVVSSYBM-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/STMGCUUVVSSYBM-UHFFFAOYSA-N/CHMO0000630
Version
Author Chloé Liagre
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-02-11
Related Molecule
  • 3-(trifluoromethyl)quinoxalin-2-amine
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    1051523 PubChem
    The data in this table is sourced from UniChem at EBI.