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(1R/S,2S,5R)-2-ISOPROPYL-5-METHYLCYCLOHEXYL-1-(2'-METHYLBENZOATE)
SpectraBase Compound ID 5BJPrB5B8Ym
InChI InChI=1S/C18H26O2/c1-12(2)15-10-9-13(3)11-17(15)20-18(19)16-8-6-5-7-14(16)4/h5-8,12-13,15,17H,9-11H2,1-4H3/t13-,15+,17?/m1/s1
InChIKey GIMHOAWLSGWUEF-LYFVRQJISA-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 Ixs3vRxS1Ve
Name (1R/S,2S,5R)-2-ISOPROPYL-5-METHYLCYCLOHEXYL-1-(2'-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)15-10-9-13(3)11-17(15)20-18(19)16-8-6-5-7-14(16)4/h5-8,12-13,15,17H,9-11H2,1-4H3/t13-,15+,17?/m1/s1
InChIKey GIMHOAWLSGWUEF-LYFVRQJISA-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 UWVN25166