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N1-(5,5-Dimethyl-3-oxo-cyclohex-1-enyl)-N2-phenyl-thiourea
SpectraBase Compound ID AfWNIfZqoVF
InChI InChI=1S/C15H18N2OS/c1-15(2)9-12(8-13(18)10-15)17-14(19)16-11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3,(H2,16,17,19)
InChIKey ZQMVACNGANWGRO-UHFFFAOYSA-N
Mol Weight 274.38 g/mol
Molecular Formula C15H18N2OS
Exact Mass 274.113984 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HcNlO2yfPTx
Name N1-(5,5-Dimethyl-3-oxo-cyclohex-1-enyl)-N2-phenyl-thiourea
Comments REASSIGNED A.H. - SOLVENT DMSO?
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H18N2OS
InChI InChI=1S/C15H18N2OS/c1-15(2)9-12(8-13(18)10-15)17-14(19)16-11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3,(H2,16,17,19)
InChIKey ZQMVACNGANWGRO-UHFFFAOYSA-N
Instrument Name Jeol GX-270
Literature Reference J.V. Greenhill, J. Hanaee, P.J.Steel, J. Chem. Soc. Perkin I 1869 (1990).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6