Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C6H10O2S/c1-9(7,8)6-2-5(3-6)4-6/h5H,2-4H2,1H3
SMILES CS(=O)(=O)C12CC(C1)C2
InChI Key FSXICMNLRKENOE-UHFFFAOYSA-N
Molecular Formula C6H10O2S
Exact Mass 146.207 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FSXICMNLRKENOE-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/FSXICMNLRKENOE-UHFFFAOYSA-N/CHMO0000630
Version
Author Martin Nieger
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:10:19.215308
MetadataModified 2024-09-07T16:39:01.673835
MetadataPublished 2020-02-17
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL17586303 SureChEMBL
118941229 PubChem
The data in this table is sourced from UniChem at EBI.