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(1R/S,2S,5R)-2-ISOPROPYL-5-METHYLCYCLOHEXYL-1-(2,4,6-TRIMETHYLBENZOATE)
SpectraBase Compound ID 1R6zseIMNiC
InChI InChI=1S/C20H30O2/c1-12(2)17-8-7-13(3)11-18(17)22-20(21)19-15(5)9-14(4)10-16(19)6/h9-10,12-13,17-18H,7-8,11H2,1-6H3/t13-,17+,18?/m1/s1
InChIKey WXRBNLGPNRFPNS-GTDUKUAFSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7wZI5EOHnsn
Name (1R/S,2S,5R)-2-ISOPROPYL-5-METHYLCYCLOHEXYL-1-(2,4,6-TRIMETHYLBENZOATE)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-12(2)17-8-7-13(3)11-18(17)22-20(21)19-15(5)9-14(4)10-16(19)6/h9-10,12-13,17-18H,7-8,11H2,1-6H3/t13-,17+,18?/m1/s1
InChIKey WXRBNLGPNRFPNS-GTDUKUAFSA-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 302.457 g/mol
Solvent CDCl3
Source File Reference UWVN25168