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3-[(2-CHLORO-6-FLUOROBENZYL)SULFONYL]-5-METHYL-4-ISOTHIAZOLECARBONITRILE

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

3-[(2-CHLORO-6-FLUOROBENZYL)SULFONYL]-5-METHYL-4-ISOTHIAZOLECARBONITRILE
SpectraBase Compound ID G7b7rnaFS1L
InChI InChI=1S/C12H8ClFN2O2S2/c1-7-8(5-15)12(16-19-7)20(17,18)6-9-10(13)3-2-4-11(9)14/h2-4H,6H2,1H3
InChIKey BCEMJKFYFHBGJX-UHFFFAOYSA-N
Mol Weight 330.78 g/mol
Molecular Formula C12H8ClFN2O2S2
Exact Mass 329.969976 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JEwQOJyErZ2
Name 3-[(2-CHLORO-6-FLUOROBENZYL)SULFONYL]-5-METHYL-4-ISOTHIAZOLE-CARBONITRILE
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8ClFN2O2S2
InChI InChI=1S/C12H8ClFN2O2S2/c1-7-8(5-15)12(16-19-7)20(17,18)6-9-10(13)3-2-4-11(9)14/h2-4H,6H2,1H3
InChIKey BCEMJKFYFHBGJX-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 133-135C
Molecular Weight 330.79
Solvent CDCl3; Reference=TMS; Temperature 297K