Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C7H5O2.3C4H9.Sn/c8-7(9)6-4-2-1-3-5-6;3*1-3-4-2;/h2-5H,(H,8,9);3*1,3-4H2,2H3;
SMILES CCCC[Sn](c1ccc(cc1)C(=O)O)(CCCC)CCCC
InChI Key WKMIXRMZYSDALB-UHFFFAOYSA-N
Molecular Formula C19H32O2Sn
Exact Mass 411.157 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WKMIXRMZYSDALB-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/WKMIXRMZYSDALB-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 4-tributylstannylbenzoic acid
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    14795882 PubChem
    SCHEMBL2480571 SureChEMBL
    The data in this table is sourced from UniChem at EBI.