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trans-5-[2-(m-CHLOROANILINO)VINYL]-3-(METHYLTHIO)-4-ISOTHIAZOLECARBONITRILE

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

trans-5-[2-(m-CHLOROANILINO)VINYL]-3-(METHYLTHIO)-4-ISOTHIAZOLECARBONITRILE
SpectraBase Compound ID 3zMcXdzxSQc
InChI InChI=1S/C13H10ClN3S2/c1-18-13-11(8-15)12(19-17-13)5-6-16-10-4-2-3-9(14)7-10/h2-7,16H,1H3/b6-5+
InChIKey PIVJUWQZDWVUGW-AATRIKPKSA-N
Mol Weight 307.82 g/mol
Molecular Formula C13H10ClN3S2
Exact Mass 307.000467 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JHHPeoH9pK
Name trans-5-[2-(m-CHLOROANILINO)VINYL]-3-(METHYLTHIO)-4-ISOTHIAZOLECARBONITRILE
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10ClN3S2
InChI InChI=1S/C13H10ClN3S2/c1-18-13-11(8-15)12(19-17-13)5-6-16-10-4-2-3-9(14)7-10/h2-7,16H,1H3/b6-5+
InChIKey PIVJUWQZDWVUGW-AATRIKPKSA-N
Instrument Name BRUKER AC-300
Melting Point 179-181C
Molecular Weight 307.83
Solvent DMSO-d6; Reference=TMS; Temperature 297K