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5-Ethoxycarbonyl-3-pentenoic acid

View entire compound with spectra: 1 MS (GC)

5-Ethoxycarbonyl-3-pentenoic acid
SpectraBase Compound ID 5AqpjRjSYES
InChI InChI=1S/C8H12O4/c1-2-12-8(11)6-4-3-5-7(9)10/h3-4H,2,5-6H2,1H3,(H,9,10)/b4-3+
InChIKey IEYJWOYCUKZJSR-ONEGZZNKSA-N
Mol Weight 172.18 g/mol
Molecular Formula C8H12O4
Exact Mass 172.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HYQj9DeSzUv
Name 5-Ethoxycarbonyl-3-pentenoic acid
Copyright Copyright © 2020-2024 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/h3-4H,2,5-6H2,1H3,(H,9,10)/b4-3+
InChIKey IEYJWOYCUKZJSR-ONEGZZNKSA-N
Molecular Weight 172.180 g/mol
SMILES OC(C\C=C\CC(=O)OCC)=O
SPLASH splash10-00b9-6900000000-d443d0bec3499615288f
Source of Spectrum AN-100-395-10
Synonyms (3E)-6-ethoxy-6-oxo-3-hexenoic acid (E)-6-ethoxy-6-oxo-3-hexenoic acid (E)-6-ethoxy-6-oxohex-3-enoic acid (E)-6-ethoxy-6-oxo-hex-3-enoic acid (E)-6-ethoxy-6-oxidanylidene-hex-3-enoic acid
Wiley ID 747217