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N-(4-Cyanophenyl)-thiane-1-imide

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N-(4-Cyanophenyl)-thiane-1-imide
SpectraBase Compound ID 8e4Y7J9CX1f
InChI InChI=1S/C12H14N2S/c13-10-11-4-6-12(7-5-11)14-15-8-2-1-3-9-15/h4-7H,1-3,8-9H2
InChIKey DOPFRTCYSHGRTA-UHFFFAOYSA-N
Mol Weight 218.32 g/mol
Molecular Formula C12H14N2S
Exact Mass 218.08777 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DrblIpKliRI
Name N-(4-Cyanophenyl)-thiane-1-imide
CAS Registry Number 70528-45-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H14N2S
InChI InChI=1S/C12H14N2S/c13-10-11-4-6-12(7-5-11)14-15-8-2-1-3-9-15/h4-7H,1-3,8-9H2
InChIKey DOPFRTCYSHGRTA-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference P.K. Claus, F.W. Vierhapper, J. Org. Chem. 44, 2863 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CH2Cl2