Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C26H18F15NO2/c1-3-14-42(18-7-5-4-6-16(18)11-8-15-9-12-17(44-2)13-10-15)19(43)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h4-7,9-10,12-13H,3,14H2,1-2H3
SMILES CCCN(C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1ccccc1C#Cc1ccc(cc1)OC
InChI Key LNOKIIDFJHLSLH-UHFFFAOYSA-N
Molecular Formula C26H18F15NO2
Exact Mass 661.403 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LNOKIIDFJHLSLH-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/LNOKIIDFJHLSLH-UHFFFAOYSA-N/CHMO0000630
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-09-15
Related Molecule
  • 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-N-propyloctanamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    164889713 PubChem
    The data in this table is sourced from UniChem at EBI.