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trans-5-[2-(p-CHLOROANILINO)VINYL]-3-[(2,4-DICHLOROBENZYL)THIO]-4-ISOTHIAZOLECARBONITRILE

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

trans-5-[2-(p-CHLOROANILINO)VINYL]-3-[(2,4-DICHLOROBENZYL)THIO]-4-ISOTHIAZOLECARBONITRILE
SpectraBase Compound ID 1MMdEipisyV
InChI InChI=1S/C19H12Cl3N3S2/c20-13-3-5-15(6-4-13)24-8-7-18-16(10-23)19(25-27-18)26-11-12-1-2-14(21)9-17(12)22/h1-9,24H,11H2/b8-7+
InChIKey NVDWPMZMIFLVOE-BQYQJAHWSA-N
Mol Weight 452.81 g/mol
Molecular Formula C19H12Cl3N3S2
Exact Mass 450.953823 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IQltS4Qfewf
Name trans-5-[2-(p-CHLOROANILINO)VINYL]-3-[(2,4-DICHLOROBENZYL)THIO]-4-ISOTHIAZOLECARBONITRILE
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H12Cl3N3S2
InChI InChI=1S/C19H12Cl3N3S2/c20-13-3-5-15(6-4-13)24-8-7-18-16(10-23)19(25-27-18)26-11-12-1-2-14(21)9-17(12)22/h1-9,24H,11H2/b8-7+
InChIKey NVDWPMZMIFLVOE-BQYQJAHWSA-N
Instrument Name BRUKER AC-300
Melting Point 203-205C
Molecular Weight 452.81
Solvent DMSO-d6; Reference=TMS; Temperature 297K