Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C13H17FN2S2/c1-2-12(13-17-8-3-9-18-13)16-15-11-6-4-10(14)5-7-11/h4-7,13,15H,2-3,8-9H2,1H3/b16-12+
SMILES CC/C(=N\Nc1ccc(cc1)F)/C1SCCCS1
InChI Key WWBBSKVQLPFKDZ-FOWTUZBSSA-N
Molecular Formula C13H17FN2S2
Exact Mass 284.416 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WWBBSKVQLPFKDZ-FOWTUZBSSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/WWBBSKVQLPFKDZ-FOWTUZBSSA-N/IR
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:33:19.081222
MetadataModified 2024-09-07T11:52:05.639370
MetadataPublished 2014-05-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
73427250 PubChem
The data in this table is sourced from UniChem at EBI.