Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C24H30N2O3S/c1-5-28-22(27)11-8-14-26-21-10-7-6-9-20(21)25-24(26)30-16-15-29-23-18(3)13-12-17(2)19(23)4/h6-7,9-10,12-13H,5,8,11,14-16H2,1-4H3
SMILES CCOC(=O)CCCn1c(SCCOc2c(C)ccc(c2C)C)nc2c1cccc2
InChI Key HNNQHZNNPICVSF-UHFFFAOYSA-N
Molecular Formula C24H30N2O3S
Exact Mass 426.572 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HNNQHZNNPICVSF-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/HNNQHZNNPICVSF-UHFFFAOYSA-N/IR.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-10-31
Related Molecule
  • ethyl 4-[2-[2-(2,3,6-trimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]butanoate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    92042809 pubchem
    The data in this table is sourced from UniChem at EBI.