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(E,2S,5R)-(-)-(2-Isopropyl-5-methyl-cyclohexylidene)-acetic acid

View entire compound with spectra: 1 NMR

(E,2S,5R)-(-)-(2-Isopropyl-5-methyl-cyclohexylidene)-acetic acid
SpectraBase Compound ID 6bnR8CApVNt
InChI InChI=1S/C12H20O2/c1-8(2)11-5-4-9(3)6-10(11)7-12(13)14/h7-9,11H,4-6H2,1-3H3,(H,13,14)/b10-7+/t9-,11+/m1/s1
InChIKey VOVLKISPGTWWOV-LCIINNLCSA-N
Mol Weight 196.29 g/mol
Molecular Formula C12H20O2
Exact Mass 196.14633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AVj4wdFh6kw
Name (E,2S,5R)-(-)-(2-Isopropyl-5-methyl-cyclohexylidene)-acetic acid
CAS Registry Number 85048-58-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H20O2
InChI InChI=1S/C12H20O2/c1-8(2)11-5-4-9(3)6-10(11)7-12(13)14/h7-9,11H,4-6H2,1-3H3,(H,13,14)/b10-7+/t9-,11+/m1/s1
InChIKey VOVLKISPGTWWOV-LCIINNLCSA-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