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5-(Methylsulfanyl)-3-phenyl-4-isothiazolecarbonitrile

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5-(Methylsulfanyl)-3-phenyl-4-isothiazolecarbonitrile
SpectraBase Compound ID LVsarOiup4E
InChI InChI=1S/C11H8N2S2/c1-14-11-9(7-12)10(13-15-11)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey QQMGQRGVBAXBBL-UHFFFAOYSA-N
Mol Weight 232.32 g/mol
Molecular Formula C11H8N2S2
Exact Mass 232.012891 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 76i8TWr4koZ
Name 4-isothiazolecarbonitrile, 5-(methylthio)-3-phenyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.012890614 u
Formula C11H8N2S2
InChI InChI=1S/C11H8N2S2/c1-14-11-9(7-12)10(13-15-11)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey QQMGQRGVBAXBBL-UHFFFAOYSA-N
Molecular Weight 232.319 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3942
Solvent DMSO-d6
Source Vendor ID: NMR/9241473; Lab Info: L-12; Lab Number: L-12,Bobrov