Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C20H20N2O6S2/c1-5-27-15-13(19(23)25-3)29-17(21-15)11-8-7-9-12(10-11)18-22-16(28-6-2)14(30-18)20(24)26-4/h7-10H,5-6H2,1-4H3
SMILES CCOc1nc(sc1C(=O)OC)c1cccc(c1)c1nc(c(s1)C(=O)OC)OCC
InChI Key OMBVCHPBXKBKBC-UHFFFAOYSA-N
Molecular Formula C20H20N2O6S2
Exact Mass 448.513 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OMBVCHPBXKBKBC-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/OMBVCHPBXKBKBC-UHFFFAOYSA-N/CHMO0000630
Version
Author Eric Täuscher
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-10-21
Related Molecule
  • methyl 4-ethoxy-2-[3-(4-ethoxy-5-methoxycarbonyl-1,3-thiazol-2-yl)phenyl]-1,3-thiazole-5-carboxylate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    156619918 pubchem
    The data in this table is sourced from UniChem at EBI.