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(E)-3-(2,5,5-trimethyl-3,4-dioxo-1-cyclopentenyl)-2-propenoic acid ethyl ester
SpectraBase Compound ID 7Fc3NiEa1gk
InChI InChI=1S/C13H16O4/c1-5-17-10(14)7-6-9-8(2)11(15)12(16)13(9,3)4/h6-7H,5H2,1-4H3/b7-6+
InChIKey XAMQIFVJBWUBLE-VOTSOKGWSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7kYHWdSlu5t
Name (E)-3-(2,5,5-trimethyl-3,4-dioxo-1-cyclopentenyl)-2-propenoic acid ethyl ester
CAS Registry Number 108946-83-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-5-17-10(14)7-6-9-8(2)11(15)12(16)13(9,3)4/h6-7H,5H2,1-4H3/b7-6+
InChIKey XAMQIFVJBWUBLE-VOTSOKGWSA-N
Molecular Weight 236.267 g/mol
SMILES C1(=C(C(=O)C(C1(C)C)=O)C)\C=C\C(=O)OCC
SPLASH splash10-0019-0490000000-6e7a34e97cd1e8397c06
Source of Spectrum K-120-1147-18
Synonyms (E)-3-(3,4-diketo-2,5,5-trimethyl-cyclopenten-1-yl)acrylic acid ethyl ester Ethyl (E)-3-(2,5,5-trimethyl-3,4-dioxo-cyclopenten-1-yl)prop-2-enoate Ethyl (E)-3-[2,5,5-trimethyl-3,4-bis(oxidanylidene)cyclopenten-1-yl]prop-2-enoate
Wiley ID 1238077