Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C12H15NS2/c1-9-3-5-10(6-4-9)11(13)12-14-7-2-8-15-12/h3-6H,2,7-8,13H2,1H3
SMILES NC(=C1SCCCS1)c1ccc(cc1)C
InChI Key VTHJAOWBQMFELK-UHFFFAOYSA-N
Molecular Formula C12H15NS2
Exact Mass 237.384 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VTHJAOWBQMFELK-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/VTHJAOWBQMFELK-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 1,3-dithian-2-ylidene-(4-methylphenyl)methanamine
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    13446557 PubChem
    The data in this table is sourced from UniChem at EBI.