Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C24H18S3/c25-22-7-1-16(2-8-22)19-13-20(17-3-9-23(26)10-4-17)15-21(14-19)18-5-11-24(27)12-6-18/h1-15,25-27H
SMILES Sc1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)S)c1ccc(cc1)S
InChI Key HSJCTVWOPXUHNA-UHFFFAOYSA-N
Molecular Formula C24H18S3
Exact Mass 402.595 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HSJCTVWOPXUHNA-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/HSJCTVWOPXUHNA-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 4-[3,5-bis(4-sulfanylphenyl)phenyl]benzenethiol
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J2.957.623H Nikkaji
    101800472 PubChem
    The data in this table is sourced from UniChem at EBI.