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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 4vEmQwsgblI
Name 2-HEXENEDIOIC ACID, 1-ETHYL ESTER
Source of Sample K. J. Shea, E. Wada J. Amer. Chem. Soc. 104, 5715(1982)
CAS Registry Number 82979-04-2
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. 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
Molecular Weight 172.18
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WH-90