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3-[(2,4-DICHLOROBENZYL)THIO]-5-METHYL-4-ISOTHIAZOLECARBONITRILE

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

3-[(2,4-DICHLOROBENZYL)THIO]-5-METHYL-4-ISOTHIAZOLECARBONITRILE
SpectraBase Compound ID 4blFyFp7Or5
InChI InChI=1S/C12H8Cl2N2S2/c1-7-10(5-15)12(16-18-7)17-6-8-2-3-9(13)4-11(8)14/h2-4H,6H2,1H3
InChIKey KYJMACKOHWVVPF-UHFFFAOYSA-N
Mol Weight 315.24 g/mol
Molecular Formula C12H8Cl2N2S2
Exact Mass 313.950596 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 99Naur2GXlk
Name 3-[(2,4-DICHLOROBENZYL)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 C12H8Cl2N2S2
InChI InChI=1S/C12H8Cl2N2S2/c1-7-10(5-15)12(16-18-7)17-6-8-2-3-9(13)4-11(8)14/h2-4H,6H2,1H3
InChIKey KYJMACKOHWVVPF-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 133-135C
Molecular Weight 315.25
Solvent CDCl3; Reference=TMS; Temperature 297K