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2,4-Pentadienoic acid, 3-methyl-5-(2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-, ethyl ester, (Z,E)-
SpectraBase Compound ID BRLF2wS08jf
InChI InChI=1S/C17H24O3/c1-6-20-16(19)9-12(2)7-8-15-13(3)10-14(18)11-17(15,4)5/h7-10,15H,6,11H2,1-5H3/b8-7+,12-9-
InChIKey JHOIRBBCBWKQRK-GHYOLMRSSA-N
Mol Weight 276.38 g/mol
Molecular Formula C17H24O3
Exact Mass 276.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4eTq5c7i1RU
Name 2,4-Pentadienoic acid, 3-methyl-5-(2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-, ethyl ester, (Z,E)-
CAS Registry Number 52340-79-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O3
InChI InChI=1S/C17H24O3/c1-6-20-16(19)9-12(2)7-8-15-13(3)10-14(18)11-17(15,4)5/h7-10,15H,6,11H2,1-5H3/b8-7+,12-9-
InChIKey JHOIRBBCBWKQRK-GHYOLMRSSA-N
Molecular Weight 276.376 g/mol
SMILES C=1(C(C(C)(C)CC(C1)=O)\C=C\C(=C/C(=O)OCC)C)C
SPLASH splash10-000j-1900000000-09c43700de9df02f0343
Source of Spectrum H-64-1095-0
Synonyms Ethyl (2Z,4E)-3-methyl-5-(2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-2,4-pentadienoate Ethyl 5-(2,6,6-trimethyl-2-cyclohexenyl)-3-methyl-2,4-pentadienoate Ethyl3-keto-.alpha.-ionylideneacetate
Wiley ID 1280314