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trans-5-[2-(p-CHLOROANILINO)VINYL]-3-[(2-CHLORO-6-FLUOROBENZYL)THIO]-4-ISOTHIAZOLECARBONITRILE

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

trans-5-[2-(p-CHLOROANILINO)VINYL]-3-[(2-CHLORO-6-FLUOROBENZYL)THIO]-4-ISOTHIAZOLECARBONITRILE
SpectraBase Compound ID 49hGCpRk1k8
InChI InChI=1S/C19H12Cl2FN3S2/c20-12-4-6-13(7-5-12)24-9-8-18-14(10-23)19(25-27-18)26-11-15-16(21)2-1-3-17(15)22/h1-9,24H,11H2/b9-8+
InChIKey GGWPWQVFBAQLNS-CMDGGOBGSA-N
Mol Weight 436.35 g/mol
Molecular Formula C19H12Cl2FN3S2
Exact Mass 434.983373 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AzJgVrol6wJ
Name trans-5-[2-(p-CHLOROANILINO)VINYL]-3-[(2-CHLORO-6-FLUOROBENZYL)THIO]-4-ISOTHIAZOLECARBONITRILE
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H12Cl2FN3S2
InChI InChI=1S/C19H12Cl2FN3S2/c20-12-4-6-13(7-5-12)24-9-8-18-14(10-23)19(25-27-18)26-11-15-16(21)2-1-3-17(15)22/h1-9,24H,11H2/b9-8+
InChIKey GGWPWQVFBAQLNS-CMDGGOBGSA-N
Instrument Name BRUKER AC-300
Melting Point 186-188C
Molecular Weight 436.36
Solvent DMSO-d6; Reference=TMS; Temperature 297K