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A-(Methylthio)-DELTA1,A-cyclohexanecetonitrile
SpectraBase Compound ID 4qmnOE4lXDi
InChI InChI=1S/C9H13NS/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6H2,1H3
InChIKey WIWBGHJYPKOHNX-UHFFFAOYSA-N
Mol Weight 167.27 g/mol
Molecular Formula C9H13NS
Exact Mass 167.076871 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BderWcxeDZx
Name alpha-(METHYLTHIO)-delta1,alpha-CYCLOHEXANEACETONITRILE
Source of Sample S. Hibino, Tokyo College of Pharmacy, Tokyo, Japan
Boiling Point 127-129C/4mm
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13NS
InChI InChI=1S/C9H13NS/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6H2,1H3
InChIKey WIWBGHJYPKOHNX-UHFFFAOYSA-N
Molecular Weight 167.27
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms CYCLOHEXANEACETONITRILE, D<1,2-, A-/METHYLTHIO/-,