Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C21H25N3O4S3/c1-21(2,3)28-20(25)24-10-8-14(9-11-24)18-22-15(12-29-18)13-31(26,27)19-23-16-6-4-5-7-17(16)30-19/h4-7,12,14H,8-11,13H2,1-3H3
SMILES O=C(N1CCC(CC1)c1scc(n1)CS(=O)(=O)c1nc2c(s1)cccc2)OC(C)(C)C
InChI Key DBTZRQCQDGEBTC-UHFFFAOYSA-N
Molecular Formula C21H25N3O4S3
Exact Mass 479.636 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DBTZRQCQDGEBTC-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/DBTZRQCQDGEBTC-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • tert-butyl 4-[4-(1,3-benzothiazol-2-ylsulfonylmethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453437 pubchem
    The data in this table is sourced from UniChem at EBI.