Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C11H12OS2/c12-10(9-5-2-1-3-6-9)11-13-7-4-8-14-11/h1-3,5-6,11H,4,7-8H2
SMILES O=C(c1ccccc1)C1SCCCS1
InChI Key UUTGHMJIZSVFHG-UHFFFAOYSA-N
Molecular Formula C11H12OS2
Exact Mass 224.342 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UUTGHMJIZSVFHG-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/UUTGHMJIZSVFHG-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:18:41.726327
MetadataModified 2024-09-07T15:25:11.887274
MetadataPublished 2019-06-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
16521645 PubChem: Thomson Pharma
555140 PubChem
J104.593H Nikkaji
DTXSID90339275 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.