Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C22H25ClN2O3S/c1-3-27-21(26)9-6-12-25-20-8-5-4-7-19(20)24-22(25)29-14-13-28-17-10-11-18(23)16(2)15-17/h4-5,7-8,10-11,15H,3,6,9,12-14H2,1-2H3
SMILES CCOC(=O)CCCn1c(SCCOc2ccc(c(c2)C)Cl)nc2c1cccc2
InChI Key LJGVKISWFROJMH-UHFFFAOYSA-N
Molecular Formula C22H25ClN2O3S
Exact Mass 432.963 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LJGVKISWFROJMH-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/LJGVKISWFROJMH-UHFFFAOYSA-N/IR.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-10-31
Related Molecule
  • ethyl 4-[2-[2-(4-chloro-3-methylphenoxy)ethylsulfanyl]benzimidazol-1-yl]butanoate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    92042810 PubChem
    The data in this table is sourced from UniChem at EBI.