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

View entire compound with spectra: 1 NMR

(E,2S,4R)-(+)-(2-Methyl-4-tert-butyl-cyclohexylidene)-acetic acid
SpectraBase Compound ID CYWlXEBJlcW
InChI InChI=1S/C13H22O2/c1-9-7-11(13(2,3)4)6-5-10(9)8-12(14)15/h8-9,11H,5-7H2,1-4H3,(H,14,15)/b10-8-/t9-,11+/m1/s1
InChIKey JNVJUYDJIOCUPQ-QTCFEDSUSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GdBqUpAa5x4
Name (E,2S,4R)-(+)-(2-Methyl-4-tert-butyl-cyclohexylidene)-acetic acid
CAS Registry Number 85048-50-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-9-7-11(13(2,3)4)6-5-10(9)8-12(14)15/h8-9,11H,5-7H2,1-4H3,(H,14,15)/b10-8-/t9-,11+/m1/s1
InChIKey JNVJUYDJIOCUPQ-QTCFEDSUSA-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