Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C31H21NOS4/c1-33-25-12-10-24(11-13-25)32(22-6-2-20(3-7-22)28-18-30-26(36-28)14-16-34-30)23-8-4-21(5-9-23)29-19-31-27(37-29)15-17-35-31/h2-19H,1H3
SMILES COc1ccc(cc1)N(c1ccc(cc1)c1cc2c(s1)ccs2)c1ccc(cc1)c1cc2c(s1)ccs2
InChI Key AQCBNUCXBUCINR-UHFFFAOYSA-N
Molecular Formula C31H21NOS4
Exact Mass 551.765 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AQCBNUCXBUCINR-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/AQCBNUCXBUCINR-UHFFFAOYSA-N/CHMO0000630
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-06-05
Related Molecule
  • N-(4-methoxyphenyl)-4-thieno[3,2-b]thiophen-5-yl-N-(4-thieno[3,2-b]thiophen-5-ylphenyl)aniline
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    16968378 surechembl
    118274774 pubchem
    The data in this table is sourced from UniChem at EBI.