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METHYL-(1R-(1-ALPHA,2-BETA,3-ALPHA))-2-(2-(2-CYANO-3-METHYL-5-(1-METHYLETHYL)-PHENYL)-ETHYL)-1,3-DIMETHYL-3-VINYL-1-CYCLOHEXANECARBOXYLATE

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METHYL-(1R-(1-ALPHA,2-BETA,3-ALPHA))-2-(2-(2-CYANO-3-METHYL-5-(1-METHYLETHYL)-PHENYL)-ETHYL)-1,3-DIMETHYL-3-VINYL-1-CYCLOHEXANECARBOXYLATE
SpectraBase Compound ID CHSug9GPgZY
InChI InChI=1S/C25H35NO2/c1-8-24(5)12-9-13-25(6,23(27)28-7)22(24)11-10-19-15-20(17(2)3)14-18(4)21(19)16-26/h8,14-15,17,22H,1,9-13H2,2-7H3/t22?,24-,25+/m0/s1
InChIKey FIKGLQILCDAPBY-OELIULCZSA-N
Mol Weight 381.6 g/mol
Molecular Formula C25H35NO2
Exact Mass 381.266779 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DFZy0H1Lvq7
Name METHYL-(1R-(1-ALPHA,2-BETA,3-ALPHA))-2-(2-(2-CYANO-3-METHYL-5-(1-METHYLETHYL)-PHENYL)-ETHYL)-1,3-DIMETHYL-3-VINYL-1-CYCLOHEXANECARBOXYLATE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H35NO2
InChI InChI=1S/C25H35NO2/c1-8-24(5)12-9-13-25(6,23(27)28-7)22(24)11-10-19-15-20(17(2)3)14-18(4)21(19)16-26/h8,14-15,17,22H,1,9-13H2,2-7H3/t22?,24-,25+/m0/s1
InChIKey FIKGLQILCDAPBY-OELIULCZSA-N
Literature Reference Author E.HASLINGER,D.HOFNER
Literature Reference Citation MH.CHEM.,129,297(1998)
Literature Reference DOI 10.1007/s007060050051
Molecular Weight 381.558 g/mol
Solvent CDCl3
Source File Reference UWRU2695