Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C30H17F16NO2/c1-49-18-12-8-16(9-13-18)22-21(19-4-2-3-5-20(19)47(22)14-15-6-10-17(31)11-7-15)23(48)24(32,33)25(34,35)26(36,37)27(38,39)28(40,41)29(42,43)30(44,45)46/h2-13H,14H2,1H3
SMILES COc1ccc(cc1)c1c(c2c(n1Cc1ccc(cc1)F)cccc2)C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key SRVNGHRZKVBEMJ-UHFFFAOYSA-N
Molecular Formula C30H17F16NO2
Exact Mass 727.436 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SRVNGHRZKVBEMJ-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/SRVNGHRZKVBEMJ-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-1-[1-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)indol-3-yl]octan-1-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    164889704 PubChem
    The data in this table is sourced from UniChem at EBI.