Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C12H12O2S/c13-11(14)9-2-1-3-10(4-9)15-12-5-8(6-12)7-12/h1-4,8H,5-7H2,(H,13,14)
SMILES OC(=O)c1cccc(c1)SC12CC(C1)C2
InChI Key OMUFJMMSJBNMQW-UHFFFAOYSA-N
Molecular Formula C12H12O2S
Exact Mass 220.287 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OMUFJMMSJBNMQW-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/OMUFJMMSJBNMQW-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:26:38.271868
MetadataModified 2024-09-07T15:37:06.173503
MetadataPublished 2019-06-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
138453682 PubChem
The data in this table is sourced from UniChem at EBI.