Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C10H16O2S2/c1-3-8(4-5-9(11)12-2)10-13-6-7-14-10/h3-7H2,1-2H3
SMILES CCC(=C1SCCS1)CCC(=O)OC
InChI Key WEWHOQGGMKXBGI-UHFFFAOYSA-N
Molecular Formula C10H16O2S2
Exact Mass 232.363 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WEWHOQGGMKXBGI-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/WEWHOQGGMKXBGI-UHFFFAOYSA-N/IR
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:27:13.355955
MetadataModified 2024-09-07T14:25:20.152856
MetadataPublished 2018-05-16
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
133083277 PubChem
The data in this table is sourced from UniChem at EBI.