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

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trans-3-[(2-CHLORO-6-FLUOROBENZYL)THIO]-5-[2-(DIMETHYLAMINO)VINYL]-4-ISOTHIAZOLECARBONITRILE
SpectraBase Compound ID AHoS92C9ZPl
InChI InChI=1S/C15H13ClFN3S2/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 CZTPCTBKCJGTDN-VOTSOKGWSA-N
Mol Weight 353.86 g/mol
Molecular Formula C15H13ClFN3S2
Exact Mass 353.022346 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4GipVfLqNhf
Name trans-3-[(2-CHLORO-6-FLUOROBENZYL)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 C15H13ClFN3S2
InChI InChI=1S/C15H13ClFN3S2/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 CZTPCTBKCJGTDN-VOTSOKGWSA-N
Instrument Name BRUKER AC-300
Melting Point 147-149C
Molecular Weight 353.87
Solvent CDCl3; Reference=TMS; Temperature 297K