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trans-5-[2-(3,5-DICHLOROANILINO)VINYL]-3-(METHYLTHIO)-4-ISOTHIAZOLECARBONITRILE

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

trans-5-[2-(3,5-DICHLOROANILINO)VINYL]-3-(METHYLTHIO)-4-ISOTHIAZOLECARBONITRILE
SpectraBase Compound ID FiQZdw44nN1
InChI InChI=1S/C13H9Cl2N3S2/c1-19-13-11(7-16)12(20-18-13)2-3-17-10-5-8(14)4-9(15)6-10/h2-6,17H,1H3/b3-2+
InChIKey RFJQNHIBIKYDKH-NSCUHMNNSA-N
Mol Weight 342.26 g/mol
Molecular Formula C13H9Cl2N3S2
Exact Mass 340.961495 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CyoQGtVJFjy
Name trans-5-[2-(3,5-DICHLOROANILINO)VINYL]-3-(METHYLTHIO)-4-ISOTHIAZOLECARBONITRILE
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9Cl2N3S2
InChI InChI=1S/C13H9Cl2N3S2/c1-19-13-11(7-16)12(20-18-13)2-3-17-10-5-8(14)4-9(15)6-10/h2-6,17H,1H3/b3-2+
InChIKey RFJQNHIBIKYDKH-NSCUHMNNSA-N
Instrument Name BRUKER AC-300
Melting Point 196-198C
Molecular Weight 342.27
Solvent DMSO-d6; Reference=TMS; Temperature 297K