Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C9H5ClF3NS2/c10-7(9(11,12)13)16-8-14-5-3-1-2-4-6(5)15-8/h1-4,7H
SMILES ClC(C(F)(F)F)Sc1nc2c(s1)cccc2
InChI Key VKLSNBPDAYGHSL-UHFFFAOYSA-N
Molecular Formula C9H5ClF3NS2
Exact Mass 283.721 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VKLSNBPDAYGHSL-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/VKLSNBPDAYGHSL-UHFFFAOYSA-N/IR
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:31:30.516120
MetadataModified 2024-09-07T12:43:39.666206
MetadataPublished 2014-05-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
73427431 PubChem
The data in this table is sourced from UniChem at EBI.