Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C29H20F3NO/c30-29(31,32)26-17-9-8-16-25(26)28(34)33(21-23-13-5-2-6-14-23)27-18-10-7-15-24(27)20-19-22-11-3-1-4-12-22/h1-18H,21H2
SMILES O=C(c1ccccc1C(F)(F)F)N(c1ccccc1C#Cc1ccccc1)Cc1ccccc1
InChI Key LQJAQJSXWKWJFU-UHFFFAOYSA-N
Molecular Formula C29H20F3NO
Exact Mass 455.470 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LQJAQJSXWKWJFU-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/LQJAQJSXWKWJFU-UHFFFAOYSA-N/CHMO0000630
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-12-19
Related Molecule
  • N-benzyl-N-[2-(2-phenylethynyl)phenyl]-2-(trifluoromethyl)benzamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    166175708 PubChem
    The data in this table is sourced from UniChem at EBI.