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Isochorismic acid, dimethyl ester

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Isochorismic acid, dimethyl ester
SpectraBase Compound ID AktrrmzxeMY
InChI InChI=1S/C12H14O6/c1-7(11(14)16-2)18-9-6-4-5-8(10(9)13)12(15)17-3/h4-6,9-10,13H,1H2,2-3H3
InChIKey QRIMBCNUQWSMGX-UHFFFAOYSA-N
Mol Weight 254.24 g/mol
Molecular Formula C12H14O6
Exact Mass 254.079038 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID azE8mrlUo7
Name Isochorismic acid, dimethyl ester
CAS Registry Number 85442-95-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H14O6
InChI InChI=1S/C12H14O6/c1-7(11(14)16-2)18-9-6-4-5-8(10(9)13)12(15)17-3/h4-6,9-10,13H,1H2,2-3H3
InChIKey QRIMBCNUQWSMGX-UHFFFAOYSA-N
Literature Reference F.R. Busch, G.A. Berchthold, J. Am. Chem. Soc. 105, 3346 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3