Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C32H17F15N2O3/c33-26(34,27(35,36)28(37,38)29(39,40)30(41,42)31(43,44)32(45,46)47)25(52)49(17-18-9-2-1-3-10-18)22-15-7-4-11-19(22)12-8-16-48-23(50)20-13-5-6-14-21(20)24(48)51/h1-7,9-11,13-15H,16-17H2
SMILES O=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N(c1ccccc1C#CCN1C(=O)c2c(C1=O)cccc2)Cc1ccccc1
InChI Key ZEGYPDBKNKWETI-UHFFFAOYSA-N
Molecular Formula C32H17F15N2O3
Exact Mass 762.465 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZEGYPDBKNKWETI-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/ZEGYPDBKNKWETI-UHFFFAOYSA-N/CHMO0000630
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-09-15
Related Molecule
  • N-benzyl-N-[2-[3-(1,3-dioxoisoindol-2-yl)prop-1-ynyl]phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    164889718 PubChem
    The data in this table is sourced from UniChem at EBI.