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Methyl-1-cyano-trans-2,6-diphenyl-4-oxocyclohexane-1-carboxylate
SpectraBase Compound ID IQ6IrBV66xE
InChI InChI=1S/C21H19NO3/c1-25-20(24)21(14-22)18(15-8-4-2-5-9-15)12-17(23)13-19(21)16-10-6-3-7-11-16/h2-11,18-19H,12-13H2,1H3/t18-,19-/m0/s1
InChIKey DECBLHMCYCEFIL-OALUTQOASA-N
Mol Weight 333.39 g/mol
Molecular Formula C21H19NO3
Exact Mass 333.136493 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1tGg4o54AKg
Name METHYL-1-CYANO-TRANS-2,6-DIPHENYL-4-OXOCYCLOHEXANE-1-CARBOXYLATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H19NO3
InChI InChI=1S/C21H19NO3/c1-25-20(24)21(14-22)18(15-8-4-2-5-9-15)12-17(23)13-19(21)16-10-6-3-7-11-16/h2-11,18-19H,12-13H2,1H3/t18-,19-/m0/s1
InChIKey DECBLHMCYCEFIL-OALUTQOASA-N
Literature Reference Author A.T.ROWLAND,J.A.HOHNECKER,K.F.MCDANIEL,D.S.MOORE
Literature Reference Citation J.ORG.CHEM.,47,301(1982)
Literature Reference DOI 10.1021/jo00341a024
Molecular Weight 333.387 g/mol
Solvent CDCl3
Source File Reference UNIW20073