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([Z]-2-Methoxycarbonyl-vinyl)-(2-acetoxymethyl-pyrimidinium) cation
SpectraBase Compound ID F04RsYu1zld
InChI InChI=1S/C12H14NO4/c1-10(14)17-9-11-5-3-4-7-13(11)8-6-12(15)16-2/h3-8H,9H2,1-2H3/q+1/b8-6-
InChIKey IUJVJNQKPZYUNU-VURMDHGXSA-N
Mol Weight 236.25 g/mol
Molecular Formula C12H14NO4
Exact Mass 236.092283 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LPjujEou4HE
Name ([Z]-2-Methoxycarbonyl-vinyl)-(2-acetoxymethyl-pyrimidinium) cation
CAS Registry Number 114251-61-5
Comments BF4-SALT
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H14NO4
InChI InChI=1S/C12H14NO4/c1-10(14)17-9-11-5-3-4-7-13(11)8-6-12(15)16-2/h3-8H,9H2,1-2H3/q+1/b8-6-
InChIKey IUJVJNQKPZYUNU-VURMDHGXSA-N
Instrument Name SF = 500 MHz
Literature Reference M-E. Jung, K.R. Buszek, J. Am. Chem. Soc. 110, 3965 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD3CN