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1,4-Cyclohexadiene-1-pentanoic acid, 3,6-dioxo-, methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1,4-Cyclohexadiene-1-pentanoic acid, 3,6-dioxo-, methyl ester
SpectraBase Compound ID VntwL0Hde1
InChI InChI=1S/C12H14O4/c1-16-12(15)5-3-2-4-9-8-10(13)6-7-11(9)14/h6-8H,2-5H2,1H3
InChIKey PNVHGSUOJIFJEI-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0A6R2H6kB5
Name 1,4-Cyclohexadiene-1-pentanoic acid, 3,6-dioxo-, methyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-16-12(15)5-3-2-4-9-8-10(13)6-7-11(9)14/h6-8H,2-5H2,1H3
InChIKey PNVHGSUOJIFJEI-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES COC(=O)CCCCC1=CC(=O)C=CC1=O
SPLASH splash10-01vp-3910000000-740847a04915fd4690c7
Source of Spectrum JX-2015-0-493
Synonyms Methyl 5-(3,6-dioxocyclohexa-1,4-dien-1-yl)pentanoate 5-(3,6-dioxo-1-cyclohexa-1,4-dienyl)pentanoic acid methyl ester Methyl 5-[3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]pentanoate
Wiley ID 1720430