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(E,2S,4R)-(+)-(2-Methyl-4-tert-butyl-cyclohexylidene)-acetic acid, tert-butyl ester

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(E,2S,4R)-(+)-(2-Methyl-4-tert-butyl-cyclohexylidene)-acetic acid, tert-butyl ester
SpectraBase Compound ID 2PixVwH0hk1
InChI InChI=1S/C17H30O2/c1-12-10-14(16(2,3)4)9-8-13(12)11-15(18)19-17(5,6)7/h11-12,14H,8-10H2,1-7H3/b13-11-/t12-,14+/m1/s1
InChIKey USEMAWNAHVYMLB-VAZJTNHSSA-N
Mol Weight 266.42 g/mol
Molecular Formula C17H30O2
Exact Mass 266.22458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DlmEo4vYFBH
Name (E,2S,4R)-(+)-(2-Methyl-4-tert-butyl-cyclohexylidene)-acetic acid, tert-butyl ester
CAS Registry Number 85048-45-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H30O2
InChI InChI=1S/C17H30O2/c1-12-10-14(16(2,3)4)9-8-13(12)11-15(18)19-17(5,6)7/h11-12,14H,8-10H2,1-7H3/b13-11-/t12-,14+/m1/s1
InChIKey USEMAWNAHVYMLB-VAZJTNHSSA-N
Instrument Name Bruker WH-270
Literature Reference M. Duraisamy, H.M. Walborsky, J. Am. Chem. Soc. 105, 3252 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3