Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C14H7F3N2O2S/c15-14(16,17)9-3-6-12-11(7-9)18-13(22-12)8-1-4-10(5-2-8)19(20)21/h1-7H
SMILES [O-][N+](=O)c1ccc(cc1)c1nc2c(s1)ccc(c2)C(F)(F)F
InChI Key NOWQHDRUEYRYJH-UHFFFAOYSA-N
Molecular Formula C14H7F3N2O2S
Exact Mass 324.278 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NOWQHDRUEYRYJH-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/NOWQHDRUEYRYJH-UHFFFAOYSA-N/CHMO0000630
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-28
Related Molecule
  • 2-(4-nitrophenyl)-5-(trifluoromethyl)-1,3-benzothiazole
    • Field Value
    Measurement Technique CHMO:0000630
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453860 PubChem
    The data in this table is sourced from UniChem at EBI.