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trans-5-[2-(p-CHLOROANILINO)VINYL]-3-{[(2-METHYL-4-THIAZOLYL)METHYL]THIO}-4-ISOTHIAZOLECARBONITRILE
SpectraBase Compound ID GDVyDdX0N7f
InChI InChI=1S/C17H13ClN4S3/c1-11-21-14(9-23-11)10-24-17-15(8-19)16(25-22-17)6-7-20-13-4-2-12(18)3-5-13/h2-7,9,20H,10H2,1H3
InChIKey KBCCTDLDMAICNB-UHFFFAOYSA-N
Mol Weight 404.95 g/mol
Molecular Formula C17H13ClN4S3
Exact Mass 403.999088 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KX8ucuPcKzi
Name trans-5-[2-(p-CHLOROANILINO)VINYL]-3-{[(2-METHYL-4-THIAZOLYL)METHYL]-THIO}-4-ISOTHIAZOLECARBONITRILE
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13ClN4S3
InChI InChI=1S/C17H13ClN4S3/c1-11-21-14(9-23-11)10-24-17-15(8-19)16(25-22-17)6-7-20-13-4-2-12(18)3-5-13/h2-7,9,20H,10H2,1H3
InChIKey KBCCTDLDMAICNB-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 178-180C
Molecular Weight 404.97
Solvent DMSO-d6; Reference=TMS; Temperature 297K