Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C15H8F5N3O/c16-9-5-2-6-10(17)11(9)14(24)21-13-7-3-1-4-8(15(18,19)20)12(7)22-23-13/h1-6H,(H2,21,22,23,24)
SMILES O=C(c1c(F)cccc1F)Nc1n[nH]c2c1cccc2C(F)(F)F
InChI Key PDOBPDRIEALUTQ-UHFFFAOYSA-N
Molecular Formula C15H8F5N3O
Exact Mass 341.236 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PDOBPDRIEALUTQ-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/PDOBPDRIEALUTQ-UHFFFAOYSA-N/IR.1
Version
Author Ana María García
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-06-09
Related Molecule
  • 2,6-difluoro-N-[7-(trifluoromethyl)-1H-indazol-3-yl]benzamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    91808066 PubChem
    The data in this table is sourced from UniChem at EBI.