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trans-3-(METHYLTHIO)-5-[2-(alpha,alpha,alpha-TRIFLUORO-m-TOLUIDINO)VINYL]-4-ISOTHIAZOLECARBONITRILE

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

trans-3-(METHYLTHIO)-5-[2-(alpha,alpha,alpha-TRIFLUORO-m-TOLUIDINO)VINYL]-4-ISOTHIAZOLECARBONITRILE
SpectraBase Compound ID ISGyt1kYNmJ
InChI InChI=1S/C14H10F3N3S2/c1-21-13-11(8-18)12(22-20-13)5-6-19-10-4-2-3-9(7-10)14(15,16)17/h2-7,19H,1H3/b6-5+
InChIKey XKPGYTCSJYFYLA-AATRIKPKSA-N
Mol Weight 341.37 g/mol
Molecular Formula C14H10F3N3S2
Exact Mass 341.026824 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EWjxvmfR7JZ
Name trans-3-(METHYLTHIO)-5-[2-(alpha,alpha,alpha-TRIFLUORO-m-TOLUIDINO)VINYL]-4-ISOTHIAZOLECARBONITRILE
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H10F3N3S2
InChI InChI=1S/C14H10F3N3S2/c1-21-13-11(8-18)12(22-20-13)5-6-19-10-4-2-3-9(7-10)14(15,16)17/h2-7,19H,1H3/b6-5+
InChIKey XKPGYTCSJYFYLA-AATRIKPKSA-N
Instrument Name BRUKER AC-300
Melting Point 181-183C
Molecular Weight 341.38
Solvent DMSO-d6; Reference=TMS; Temperature 297K