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3-tert-Butyl-muconic acid, monomethyl ester

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3-tert-Butyl-muconic acid, monomethyl ester
SpectraBase Compound ID B1AR2R6WTtG
InChI InChI=1S/C11H16O4/c1-11(2,3)8(7-9(12)13)5-6-10(14)15-4/h5-7H,1-4H3,(H,12,13)/b6-5-,8-7+
InChIKey ZQPXGOWBRSUELP-IGTJQSIKSA-N
Mol Weight 212.24 g/mol
Molecular Formula C11H16O4
Exact Mass 212.104859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9SeSbfFg651
Name 3-tert-Butyl-muconic acid, monomethyl ester
CAS Registry Number 72526-03-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H16O4
InChI InChI=1S/C11H16O4/c1-11(2,3)8(7-9(12)13)5-6-10(14)15-4/h5-7H,1-4H3,(H,12,13)/b6-5-,8-7+
InChIKey ZQPXGOWBRSUELP-IGTJQSIKSA-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