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ETHYL_2-CYANO-2-(5-ISOPROPENYL-2-METHYL-3-OXOCYCLOHEXYL)-ACETATE
SpectraBase Compound ID 1HszMRQz2zq
InChI InChI=1S/C15H21NO3/c1-5-19-15(18)13(8-16)12-6-11(9(2)3)7-14(17)10(12)4/h10-13H,2,5-7H2,1,3-4H3/t10-,11+,12+,13?/m1/s1
InChIKey XEIAKKFJPPBNFY-VHGBLZLWSA-N
Mol Weight 263.34 g/mol
Molecular Formula C15H21NO3
Exact Mass 263.152144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 47mKCXKfJ38
Name ETHYL_2-CYANO-2-(5-ISOPROPENYL-2-METHYL-3-OXOCYCLOHEXYL)-ACETATE
Compound Number XIV-A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H21NO3
InChI InChI=1S/C15H21NO3/c1-5-19-15(18)13(8-16)12-6-11(9(2)3)7-14(17)10(12)4/h10-13H,2,5-7H2,1,3-4H3/t10-,11+,12+,13?/m1/s1
InChIKey XEIAKKFJPPBNFY-VHGBLZLWSA-N
Literature Reference Author K.P.VOLCHO,E.V.SUSLOV,S.Y.KURBAKOVA,D.V.KORCHAGINA,N.F.SALAK HUTDINOV,V.A.BARKHAS
Literature Reference Citation RUSS.J.ORG.CHEM.,40,659(2004)
Literature Reference DOI 10.1023/B:RUJO.0000043711.62424.ba
Molecular Weight 263.337 g/mol
Solvent CDCl3:CCl4=1:1
Source File Reference UWMZ16770