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trans-5-(2-ANILINOVINYL)-3-(METHYLTHIO)-4-ISOTHIAZOLECARBONITRILE

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

trans-5-(2-ANILINOVINYL)-3-(METHYLTHIO)-4-ISOTHIAZOLECARBONITRILE
SpectraBase Compound ID LsEU4djVj90
InChI InChI=1S/C13H11N3S2/c1-17-13-11(9-14)12(18-16-13)7-8-15-10-5-3-2-4-6-10/h2-8,15H,1H3/b8-7+
InChIKey FODWRFJUJJFKKI-BQYQJAHWSA-N
Mol Weight 273.37 g/mol
Molecular Formula C13H11N3S2
Exact Mass 273.03944 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CGDsoQQ7eNi
Name trans-5-(2-ANILINOVINYL)-3-(METHYLTHIO)-4-ISOTHIAZOLECARBONITRILE
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11N3S2
InChI InChI=1S/C13H11N3S2/c1-17-13-11(9-14)12(18-16-13)7-8-15-10-5-3-2-4-6-10/h2-8,15H,1H3/b8-7+
InChIKey FODWRFJUJJFKKI-BQYQJAHWSA-N
Instrument Name BRUKER AC-300
Melting Point 194-196C
Molecular Weight 273.38
Solvent DMSO-d6; Reference=TMS; Temperature 297K