Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C12H16O3S2/c1-15-11(14)10(12-16-5-6-17-12)8-3-2-4-9(13)7-8/h12H,2-7H2,1H3/b10-8-
SMILES COC(=O)/C(=C/1\CCCC(=O)C1)/C1SCCS1
InChI Key XOKFBPMVJSDUJQ-NTMALXAHSA-N
Molecular Formula C12H16O3S2
Exact Mass 272.384 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XOKFBPMVJSDUJQ-NTMALXAHSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/XOKFBPMVJSDUJQ-NTMALXAHSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:28:28.267977
MetadataModified 2024-09-07T15:39:46.693607
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
138453708 PubChem
The data in this table is sourced from UniChem at EBI.