Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C22H17NS/c1-3-8-19(9-4-1)23(20-10-5-2-6-11-20)21-15-13-18(14-16-21)22-12-7-17-24-22/h1-17H
SMILES c1ccc(cc1)N(c1ccccc1)c1ccc(cc1)c1cccs1
InChI Key XXGGHEHNQKJOBO-UHFFFAOYSA-N
Molecular Formula C22H17NS
Exact Mass 327.442 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XXGGHEHNQKJOBO-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/XXGGHEHNQKJOBO-UHFFFAOYSA-N/CHMO0000630
Version
Author Steffen Otterbach
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-11-13
Related Molecule
  • N,N-diphenyl-4-thiophen-2-ylaniline
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    867469 surechembl
    59253725 pubchem
    The data in this table is sourced from UniChem at EBI.