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3-[(m-CHLOROBENZYL)THIO]-5-METHYL-4-ISOTHIAZOLECARBONITRILE

View entire compound with spectra: 1 NMR, and 1 FTIR

3-[(m-CHLOROBENZYL)THIO]-5-METHYL-4-ISOTHIAZOLECARBONITRILE
SpectraBase Compound ID 14PW8Z1sMg5
InChI InChI=1S/C12H9ClN2S2/c1-8-11(6-14)12(15-17-8)16-7-9-3-2-4-10(13)5-9/h2-5H,7H2,1H3
InChIKey BDQGOHFFIGOPOZ-UHFFFAOYSA-N
Mol Weight 280.79 g/mol
Molecular Formula C12H9ClN2S2
Exact Mass 279.989568 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EWeFaXIPbtq
Name 3-[(m-CHLOROBENZYL)THIO]-5-METHYL-4-ISOTHIAZOLECARBONITRILE
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9ClN2S2
InChI InChI=1S/C12H9ClN2S2/c1-8-11(6-14)12(15-17-8)16-7-9-3-2-4-10(13)5-9/h2-5H,7H2,1H3
InChIKey BDQGOHFFIGOPOZ-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 75-77C
Molecular Weight 280.80
Solvent CDCl3; Reference=TMS; Temperature 297K