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METHYL-3-[5-[HYDROXY-(4-TRIFLUOROMETHYLPHENYL)-METHYL]-5-METHYL-CYCLOHEXA-1,3-DIEN-1-YL]-BENZOATE
SpectraBase Compound ID GWaxDhPGuhV
InChI InChI=1S/C23H21F3O3/c1-22(20(27)15-8-10-19(11-9-15)23(24,25)26)12-4-7-18(14-22)16-5-3-6-17(13-16)21(28)29-2/h3-13,20,27H,14H2,1-2H3/t20-,22+/m0/s1
InChIKey UKABJXIGWRYSGP-RBBKRZOGSA-N
Mol Weight 402.41 g/mol
Molecular Formula C23H21F3O3
Exact Mass 402.144279 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FcTQWUFEh4Q
Name METHYL-3-[5-[HYDROXY-(4-TRIFLUOROMETHYLPHENYL)-METHYL]-5-METHYL-CYCLOHEXA-1,3-DIEN-1-YL]-BENZOATE
Compound Number 5I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H21F3O3
InChI InChI=1S/C23H21F3O3/c1-22(20(27)15-8-10-19(11-9-15)23(24,25)26)12-4-7-18(14-22)16-5-3-6-17(13-16)21(28)29-2/h3-13,20,27H,14H2,1-2H3/t20-,22+/m0/s1
InChIKey UKABJXIGWRYSGP-RBBKRZOGSA-N
Literature Reference Author G.HILT,W.HESS,K.HARMS
Literature Reference Citation ORG.LETTERS,8,3287(2006)
Literature Reference DOI 10.1021/ol061153f
Molecular Weight 402.413 g/mol
Sample ID 60610
Solvent CDCl3