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2,5-Cyclohexadien-1-one, 3,6-bis(acetyloxy)-2,4,4-trimethyl-
SpectraBase Compound ID 5M9lwhZk5rh
InChI InChI=1S/C13H16O5/c1-7-11(16)10(17-8(2)14)6-13(4,5)12(7)18-9(3)15/h6H,1-5H3
InChIKey JTIZDOVFRFMOTI-UHFFFAOYSA-N
Mol Weight 252.27 g/mol
Molecular Formula C13H16O5
Exact Mass 252.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 98jPeCvk0p3
Name 2,5-Cyclohexadien-1-one, 3,6-bis(acetyloxy)-2,4,4-trimethyl-
Alternate Name(s) 4-(acetyloxy)-2,6,6-trimethyl-3-oxo-1,4-cyclohexadien-1-yl acetate [2,6,6-trimethyl-3-oxo-1,4-cyclohexadien-1,4-ylen]ester of diacetic acid
CAS Registry Number 80713-72-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-7-11(16)10(17-8(2)14)6-13(4,5)12(7)18-9(3)15/h6H,1-5H3
InChIKey JTIZDOVFRFMOTI-UHFFFAOYSA-N
Molecular Weight 252.266 g/mol
SMILES C1(=C(C(C)(C)C=C(C1=O)OC(=O)C)OC(=O)C)C
SPLASH splash10-00kf-5910000000-6b30eeee747f83588ee1
Source of Spectrum H-64-2461-0
Wiley ID 1255344