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(E)-Muconic acid, monoisopropyl ester
SpectraBase Compound ID 1ZmstoUyoKc
InChI InChI=1S/C9H12O4/c1-7(2)13-9(12)6-4-3-5-8(10)11/h3-7H,1-2H3,(H,10,11)/b5-3-,6-4-
InChIKey OCCJXQJLQWHCNA-GLIMQPGKSA-N
Mol Weight 184.19 g/mol
Molecular Formula C9H12O4
Exact Mass 184.073559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5sobcxQMcMu
Name (Z)-Muconic acid, monoisopropyl ester
CAS Registry Number 61187-01-7
Comments MINOR ISOMER COMPARED TO THE (E)-COMPOUND
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H12O4
InChI InChI=1S/C9H12O4/c1-7(2)13-9(12)6-4-3-5-8(10)11/h3-7H,1-2H3,(H,10,11)/b5-3-,6-4-
InChIKey OCCJXQJLQWHCNA-GLIMQPGKSA-N
Instrument Name Varian CFT-20
Literature Reference M.M. Rogic, T.R. Demmin, J. Am. Chem. Soc. 100, 5472 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3