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(E)-3-(2,5,5-trimethyl-3-oxo-1-cyclopentenyl)-2-propenoic acid ethyl ester
SpectraBase Compound ID 2g7ERUyGWJn
InChI InChI=1S/C13H18O3/c1-5-16-12(15)7-6-10-9(2)11(14)8-13(10,3)4/h6-7H,5,8H2,1-4H3/b7-6+
InChIKey BWZKNFRGOGEAMI-VOTSOKGWSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8rLtAMMc6cL
Name (E)-3-(2,5,5-trimethyl-3-oxo-1-cyclopentenyl)-2-propenoic acid ethyl ester
Alternate Name(s) (E)-3-(3-keto-2,5,5-trimethyl-cyclopenten-1-yl)acrylic acid ethyl ester Ethyl (E)-3-(2,5,5-trimethyl-3-oxidanylidene-cyclopenten-1-yl)prop-2-enoate Ethyl (E)-3-(2,5,5-trimethyl-3-oxo-cyclopenten-1-yl)prop-2-enoate
CAS Registry Number 108946-81-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-5-16-12(15)7-6-10-9(2)11(14)8-13(10,3)4/h6-7H,5,8H2,1-4H3/b7-6+
InChIKey BWZKNFRGOGEAMI-VOTSOKGWSA-N
Molecular Weight 222.284 g/mol
SMILES C1(=C(C(=O)CC1(C)C)C)\C=C\C(=O)OCC
SPLASH splash10-05fs-0590000000-ba282cfd16a661651133
Source of Spectrum K-120-1147-14
Wiley ID 1222622