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2-HEXENEDIOIC ACID, 1-ETHYL ESTER

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2-HEXENEDIOIC ACID, 1-ETHYL ESTER
SpectraBase Compound ID 85dnMKaBeve
InChI InChI=1S/C8H12O4/c1-2-12-8(11)6-4-3-5-7(9)10/h4,6H,2-3,5H2,1H3,(H,9,10)/b6-4+
InChIKey ROSKPBNEMSMJAC-GQCTYLIASA-N
Mol Weight 172.18 g/mol
Molecular Formula C8H12O4
Exact Mass 172.073559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CARnEU0W3CI
Name 2-Hexene-1,6-dicarboxylic acid, 1-ethyl ester
CAS Registry Number 82979-04-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H12O4
InChI InChI=1S/C8H12O4/c1-2-12-8(11)6-4-3-5-7(9)10/h4,6H,2-3,5H2,1H3,(H,9,10)/b6-4+
InChIKey ROSKPBNEMSMJAC-GQCTYLIASA-N
Instrument Name Bruker WH-90
Literature Reference K.J. Shea, E. Wada, J. Am. Chem. Soc. 104, 5715 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3