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[2,4,4-trimethyl-3-(3-oxobut-1-enyl)cyclohex-2-en-1-yl] acetate
SpectraBase Compound ID 5xp77aluOIf
InChI InChI=1S/C15H22O3/c1-10(16)6-7-13-11(2)14(18-12(3)17)8-9-15(13,4)5/h6-7,14H,8-9H2,1-5H3/b7-6+
InChIKey CMSYAQMBQAWCLD-VOTSOKGWSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vk2yoFsDfp
Name [2,4,4-trimethyl-3-(3-oxobut-1-enyl)cyclohex-2-en-1-yl] acetate
Alternate Name(s) (E)-2,4,4-trimethyl-3-(3-oxobut-1-en-1-yl)cyclohex-2-en-1-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-10(16)6-7-13-11(2)14(18-12(3)17)8-9-15(13,4)5/h6-7,14H,8-9H2,1-5H3/b7-6+
InChIKey CMSYAQMBQAWCLD-VOTSOKGWSA-N
Literature Reference DOI 10.1002/ajoc.201700337
Molecular Weight 250.338 g/mol
SMILES C1C(C(=C(C(C1)OC(=O)C)C)\C=C\C(C)=O)(C)C
SPLASH splash10-005c-0900000000-9db6f6f173112e947f85
Source of Spectrum AJO-6-1633-3
Wiley ID 1812992