For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-Chloro-5-(2,6-dimethylphenyl)isothiazole-4-carbonitrile
SpectraBase Compound ID 5QV0eLpNQ4d
InChI InChI=1S/C12H9ClN2S/c1-7-4-3-5-8(2)10(7)11-9(6-14)12(13)15-16-11/h3-5H,1-2H3
InChIKey CSJHLJJAVVJICS-UHFFFAOYSA-N
Mol Weight 248.73 g/mol
Molecular Formula C12H9ClN2S
Exact Mass 248.017497 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Fj4hRs0fbKv
Name 3-Chloro-5-(2,6-dimethylphenyl)isothiazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9ClN2S
InChI InChI=1S/C12H9ClN2S/c1-7-4-3-5-8(2)10(7)11-9(6-14)12(13)15-16-11/h3-5H,1-2H3
InChIKey CSJHLJJAVVJICS-UHFFFAOYSA-N
Molecular Weight 248.731 g/mol
SMILES c1(c(c(Cl)ns1)C#N)-c1c(cccc1C)C
SPLASH splash10-03dj-5590000000-1fef23196b3910d07e4c
Source of Spectrum F-65-7032-28
Synonyms 3-Chloro-5-(2,6-dimethylphenyl)-4-isothiazolecarbonitrile 3-Chloro-5-(2,6-dimethylphenyl)-1,2-thiazole-4-carbonitrile
Wiley ID 1680300