Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C15H20N2O3S/c1-2-20-14(19)8-5-9-17-13-7-4-3-6-12(13)16-15(17)21-11-10-18/h3-4,6-7,18H,2,5,8-11H2,1H3
SMILES OCCSc1nc2c(n1CCCC(=O)OCC)cccc2
InChI Key NFWAPMBSMMBSJW-UHFFFAOYSA-N
Molecular Formula C15H20N2O3S
Exact Mass 308.396 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NFWAPMBSMMBSJW-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/NFWAPMBSMMBSJW-UHFFFAOYSA-N/IR.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-05-12
Related Molecule
  • ethyl 4-[2-(2-hydroxyethylsulfanyl)benzimidazol-1-yl]butanoate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    91754719 PubChem
    The data in this table is sourced from UniChem at EBI.