For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

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

trans-5-(2-ANILINOVINYL)-3-[(2-CHLORO-6-FLUOROBENZYL)THIO]-4-ISOTHIAZOLECARBONITRILE
SpectraBase Compound ID 9J8tHUMbo4E
InChI InChI=1S/C19H13ClFN3S2/c20-16-7-4-8-17(21)15(16)12-25-19-14(11-22)18(26-24-19)9-10-23-13-5-2-1-3-6-13/h1-10,23H,12H2/b10-9+
InChIKey QPTMQWKURXMZCK-MDZDMXLPSA-N
Mol Weight 401.91 g/mol
Molecular Formula C19H13ClFN3S2
Exact Mass 401.022346 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CxMMmjAsqmP
Name trans-5-(2-ANILINOVINYL)-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 C19H13ClFN3S2
InChI InChI=1S/C19H13ClFN3S2/c20-16-7-4-8-17(21)15(16)12-25-19-14(11-22)18(26-24-19)9-10-23-13-5-2-1-3-6-13/h1-10,23H,12H2/b10-9+
InChIKey QPTMQWKURXMZCK-MDZDMXLPSA-N
Instrument Name BRUKER AC-300
Melting Point 174-176C
Molecular Weight 401.92
Solvent DMSO-d6; Reference=TMS; Temperature 297K