Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C11H11ClS/c12-9-2-1-3-10(4-9)13-11-5-8(6-11)7-11/h1-4,8H,5-7H2
SMILES Clc1cccc(c1)SC12CC(C1)C2
InChI Key IHCQZQPPNCXKRM-UHFFFAOYSA-N
Molecular Formula C11H11ClS
Exact Mass 210.723 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IHCQZQPPNCXKRM-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/IHCQZQPPNCXKRM-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 1-(3-chlorophenyl)sulfanylbicyclo[1.1.1]pentane
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453582 PubChem
    The data in this table is sourced from UniChem at EBI.