Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C29H15F16NO/c30-20-14-11-17(12-15-20)10-13-19-8-4-5-9-21(19)46(16-18-6-2-1-3-7-18)22(47)23(31,32)24(33,34)25(35,36)26(37,38)27(39,40)28(41,42)29(43,44)45/h1-9,11-12,14-15H,16H2
SMILES Fc1ccc(cc1)C#Cc1ccccc1N(C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Cc1ccccc1
InChI Key HTVPIWJJIZTEHZ-UHFFFAOYSA-N
Molecular Formula C29H15F16NO
Exact Mass 697.410 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HTVPIWJJIZTEHZ-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/HTVPIWJJIZTEHZ-UHFFFAOYSA-N/CHMO0000630
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-09-15
Related Molecule
  • N-benzyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[2-[2-(4-fluorophenyl)ethynyl]phenyl]octanamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    164889716 PubChem
    The data in this table is sourced from UniChem at EBI.