Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C6H5S.3C4H9.Sn/c7-6-4-2-1-3-5-6;3*1-3-4-2;/h2-5,7H;3*1,3-4H2,2H3;
SMILES CCCC[Sn](c1ccc(cc1)S)(CCCC)CCCC
InChI Key DOXNNXNMKGUDDU-UHFFFAOYSA-N
Molecular Formula C18H32SSn
Exact Mass 399.213 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DOXNNXNMKGUDDU-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/DOXNNXNMKGUDDU-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 4-tributylstannylbenzenethiol
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    12787767 PubChem
    The data in this table is sourced from UniChem at EBI.