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(1R/S,2S,5R)-2-ISOPROPYL-5-METHYLCYCLOHEXYL-1-(4'-NITROBENZOATE)
SpectraBase Compound ID 5lx3E5peXu5
InChI InChI=1S/C17H23NO4/c1-11(2)15-9-4-12(3)10-16(15)22-17(19)13-5-7-14(8-6-13)18(20)21/h5-8,11-12,15-16H,4,9-10H2,1-3H3/t12-,15+,16?/m1/s1
InChIKey FAVDDVFCEHOGER-AVPQSEQGSA-N
Mol Weight 305.37 g/mol
Molecular Formula C17H23NO4
Exact Mass 305.162708 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LLpLlBBNt1v
Name (1R/S,2S,5R)-2-ISOPROPYL-5-METHYLCYCLOHEXYL-1-(4'-NITROBENZOATE)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H23NO4
InChI InChI=1S/C17H23NO4/c1-11(2)15-9-4-12(3)10-16(15)22-17(19)13-5-7-14(8-6-13)18(20)21/h5-8,11-12,15-16H,4,9-10H2,1-3H3/t12-,15+,16?/m1/s1
InChIKey FAVDDVFCEHOGER-AVPQSEQGSA-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 305.374 g/mol
Solvent CDCl3
Source File Reference UWVN25162