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(1R/S,2S,5R)-2-ISOPROPYL-5-METHYLCYCLOHEXYL-1-(4'-METHYLBENZOATE)
SpectraBase Compound ID I7g6Z3pnVJ
InChI InChI=1S/C18H26O2/c1-12(2)16-10-7-14(4)11-17(16)20-18(19)15-8-5-13(3)6-9-15/h5-6,8-9,12,14,16-17H,7,10-11H2,1-4H3/t14-,16+,17?/m1/s1
InChIKey CBVPBOUHYTZCKO-UMFITKPXSA-N
Mol Weight 274.4 g/mol
Molecular Formula C18H26O2
Exact Mass 274.19328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID NDQVZC88v6
Name (1R/S,2S,5R)-2-ISOPROPYL-5-METHYLCYCLOHEXYL-1-(4'-METHYLBENZOATE)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H26O2
InChI InChI=1S/C18H26O2/c1-12(2)16-10-7-14(4)11-17(16)20-18(19)15-8-5-13(3)6-9-15/h5-6,8-9,12,14,16-17H,7,10-11H2,1-4H3/t14-,16+,17?/m1/s1
InChIKey CBVPBOUHYTZCKO-UMFITKPXSA-N
Literature Reference Author J.MCNULTY,A.CAPRETTA,V.LARITCHEV,J.DYCK,A.J.ROBERTSON
Literature Reference Citation J.ORG.CHEM.,68,1597(2003)
Literature Reference DOI 10.1021/jo026639y
Molecular Weight 274.403 g/mol
Solvent CDCl3
Source File Reference UWVN25163