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1,4-Cyclohexadiene-1-propanoic acid, .beta.,.beta.,2,4-tetramethyl-3,6-dioxo-
SpectraBase Compound ID ATPqMgRlAbO
InChI InChI=1S/C13H16O4/c1-7-5-9(14)11(8(2)12(7)17)13(3,4)6-10(15)16/h5H,6H2,1-4H3,(H,15,16)
InChIKey JHOMCQALRKZDFZ-UHFFFAOYSA-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 FKt5Scfh4mY
Name 1,4-Cyclohexadiene-1-propanoic acid, .beta.,.beta.,2,4-tetramethyl-3,6-dioxo-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-7-5-9(14)11(8(2)12(7)17)13(3,4)6-10(15)16/h5H,6H2,1-4H3,(H,15,16)
InChIKey JHOMCQALRKZDFZ-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES OC(CC(C=1C(C=C(C)C(C1C)=O)=O)(C)C)=O
SPLASH splash10-004l-9710000000-190386d9bedde7e707c0
Source of Spectrum JX-2015-1-62
Synonyms 3-(2,4-Dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-3-methylbutanoic acid 3-(2,4-Dimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)-3-methylbutanoic acid 3-(2,4-Dimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)-3-methyl-butanoic acid 3-[2,4-Dimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-3-methyl-butanoic acid
Wiley ID 1720926