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2-(1-Methyl-1-phenyl-ethyl)-5-methyl-cyclohexyl 3,5-dinitro-benzoate

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2-(1-Methyl-1-phenyl-ethyl)-5-methyl-cyclohexyl 3,5-dinitro-benzoate
SpectraBase Compound ID KmMkltmIXIH
InChI InChI=1S/C23H26N2O6/c1-15-9-10-20(23(2,3)17-7-5-4-6-8-17)21(11-15)31-22(26)16-12-18(24(27)28)14-19(13-16)25(29)30/h4-8,12-15,20-21H,9-11H2,1-3H3
InChIKey OAJJUFDHOYOSSA-UHFFFAOYSA-N
Mol Weight 426.47 g/mol
Molecular Formula C23H26N2O6
Exact Mass 426.179087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GUMr3nSK16M
Name Compound-#2C
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C23H26N2O6
InChI InChI=1S/C23H26N2O6/c1-15-9-10-20(23(2,3)17-7-5-4-6-8-17)21(11-15)31-22(26)16-12-18(24(27)28)14-19(13-16)25(29)30/h4-8,12-15,20-21H,9-11H2,1-3H3
InChIKey OAJJUFDHOYOSSA-UHFFFAOYSA-N
Literature Reference J. Runsink, H. Koch, A. Nehrings, J. Chem. Soc. Perkin II 49 (1988).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3