Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C21H22F3N3O/c1-2-3-7-13-27-20(25-18(28)14-15-9-5-4-6-10-15)16-11-8-12-17(19(16)26-27)21(22,23)24/h4-6,8-12H,2-3,7,13-14H2,1H3,(H,25,28)
SMILES CCCCCn1nc2c(c1NC(=O)Cc1ccccc1)cccc2C(F)(F)F
InChI Key IGOBECVWMDKFLF-UHFFFAOYSA-N
Molecular Formula C21H22F3N3O
Exact Mass 389.414 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IGOBECVWMDKFLF-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/IGOBECVWMDKFLF-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • N-[2-pentyl-7-(trifluoromethyl)indazol-3-yl]-2-phenylacetamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453746 PubChem
    The data in this table is sourced from UniChem at EBI.