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trans-3-[(2,6-DICHLOROBENZYL)THIO]-5-[2-(DIMETHYLAMINO)VINYL]-4-ISOTHIAZOLECARBONITRILE

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

trans-3-[(2,6-DICHLOROBENZYL)THIO]-5-[2-(DIMETHYLAMINO)VINYL]-4-ISOTHIAZOLECARBONITRILE
SpectraBase Compound ID BxJRwSIehLB
InChI InChI=1S/C15H13Cl2N3S2/c1-20(2)7-6-14-10(8-18)15(19-22-14)21-9-11-12(16)4-3-5-13(11)17/h3-7H,9H2,1-2H3/b7-6+
InChIKey KKKMTBRVBMLJTD-VOTSOKGWSA-N
Mol Weight 370.32 g/mol
Molecular Formula C15H13Cl2N3S2
Exact Mass 368.992795 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GUhgdGpiqtk
Name trans-3-[(2,6-DICHLOROBENZYL)THIO]-5-[2-(DIMETHYLAMINO)VINYL]-4-ISOTHIAZOLECARBONITRILE
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13Cl2N3S2
InChI InChI=1S/C15H13Cl2N3S2/c1-20(2)7-6-14-10(8-18)15(19-22-14)21-9-11-12(16)4-3-5-13(11)17/h3-7H,9H2,1-2H3/b7-6+
InChIKey KKKMTBRVBMLJTD-VOTSOKGWSA-N
Instrument Name BRUKER AC-300
Melting Point 157-159C
Molecular Weight 370.33
Solvent CDCl3; Reference=TMS; Temperature 297K