Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Info

molecular Image
InChI InChI=1S/C22H12S2/c1-3-7-15-13(5-1)17-9-11-23-21(17)19(15)20-16-8-4-2-6-14(16)18-10-12-24-22(18)20/h1-12H/b20-19+
SMILES c1ccc2-c3c(/C(=C/4\c5ccccc5-c5c4scc5)/c2c1)scc3
InChI Key CZUUIWPWZNRIDB-FMQUCBEESA-N
Molecular Formula C22H12S2
Exact Mass 340.461 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CZUUIWPWZNRIDB-FMQUCBEESA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/CZUUIWPWZNRIDB-FMQUCBEESA-N/CHMO0000630
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-12-03
Related Molecule
  • (4E)-4-indeno[2,1-b]thiophen-4-ylideneindeno[2,1-b]thiophene
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL16875844 SureChEMBL
    J3.284.519C Nikkaji
    102234038 PubChem
    The data in this table is sourced from UniChem at EBI.