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1-[4,5-Bis(methoxycarbonyl)-1,4-cyclohexadienyl]-1,2,3-triazole-4,5-dicarboxylic acid, dimethyl ester

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1-[4,5-Bis(methoxycarbonyl)-1,4-cyclohexadienyl]-1,2,3-triazole-4,5-dicarboxylic acid, dimethyl ester
SpectraBase Compound ID LDmPX2JrKZw
InChI InChI=1S/C16H17N3O8/c1-24-13(20)9-6-5-8(7-10(9)14(21)25-2)19-12(16(23)27-4)11(17-18-19)15(22)26-3/h5H,6-7H2,1-4H3
InChIKey MPZIYZLCXUXYDO-UHFFFAOYSA-N
Mol Weight 379.33 g/mol
Molecular Formula C16H17N3O8
Exact Mass 379.101565 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CmcZqAWQNaD
Name 1-[4,5-Bis(methoxycarbonyl)-1,4-cyclohexadienyl]-1,2,3-triazole-4,5-dicarboxylic acid, dimethyl ester
CAS Registry Number 91686-89-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H17N3O8
InChI InChI=1S/C16H17N3O8/c1-24-13(20)9-6-5-8(7-10(9)14(21)25-2)19-12(16(23)27-4)11(17-18-19)15(22)26-3/h5H,6-7H2,1-4H3
InChIKey MPZIYZLCXUXYDO-UHFFFAOYSA-N
Literature Reference H. Priebe, Angew. Chem. 96, 728 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3