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5-METHYL-3-[(p-METHYLBENZYL)SULFONYL]-4-ISOTHIAZOLECARBONITRILE

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

5-METHYL-3-[(p-METHYLBENZYL)SULFONYL]-4-ISOTHIAZOLECARBONITRILE
SpectraBase Compound ID 1hcVYBwH9eo
InChI InChI=1S/C13H12N2O2S2/c1-9-3-5-11(6-4-9)8-19(16,17)13-12(7-14)10(2)18-15-13/h3-6H,8H2,1-2H3
InChIKey MLKDMLDPXRXKFT-UHFFFAOYSA-N
Mol Weight 292.37 g/mol
Molecular Formula C13H12N2O2S2
Exact Mass 292.03402 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jo1yxAlEZpr
Name 5-METHYL-3-[(p-METHYLBENZYL)SULFONYL]-4-ISOTHIAZOLECARBONITRILE
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2O2S2
InChI InChI=1S/C13H12N2O2S2/c1-9-3-5-11(6-4-9)8-19(16,17)13-12(7-14)10(2)18-15-13/h3-6H,8H2,1-2H3
InChIKey MLKDMLDPXRXKFT-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 165-167C
Molecular Weight 292.38
Solvent CDCl3; Reference=TMS; Temperature 297K