Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C10H8F3N3O/c1-6(17)16-5-7-3-2-4-8(10(11,12)13)9(7)14-15-16/h2-4H,5H2,1H3
SMILES CC(=O)N1N=Nc2c(C1)cccc2C(F)(F)F
InChI Key LBQBAMDFNQQTJW-UHFFFAOYSA-N
Molecular Formula C10H8F3N3O
Exact Mass 243.185 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LBQBAMDFNQQTJW-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/LBQBAMDFNQQTJW-UHFFFAOYSA-N/IR.1
Version
Author Ana María García
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-06-01
Related Molecule
  • 1-[8-(trifluoromethyl)-4H-1,2,3-benzotriazin-3-yl]ethanone
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    91799585 pubchem
    FUQYEW CCDC
    The data in this table is sourced from UniChem at EBI.