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Methyl 3,6-dioxo-1,4-cyclohexadiene-1-carboxylate
SpectraBase Compound ID EZjNZjSjyKN
InChI InChI=1S/C8H6O4/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3
InChIKey LSFYMYHEOPWITI-UHFFFAOYSA-N
Mol Weight 166.13 g/mol
Molecular Formula C8H6O4
Exact Mass 166.026609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 59RsAQuE9mK
Name Methyl 3,6-dioxo-1,4-cyclohexadiene-1-carboxylate
CAS Registry Number 3958-79-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6O4
InChI InChI=1S/C8H6O4/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3
InChIKey LSFYMYHEOPWITI-UHFFFAOYSA-N
Molecular Weight 166.132 g/mol
SMILES C1(=O)C=C(C(C=C1)=O)C(=O)OC
SPLASH splash10-0udr-9600000000-de6224c1c654ec96db26
Synonyms 1,4-Cyclohexadiene-1-carboxylic acid, 3,6-dioxo-, methyl ester 3,6-Diketocyclohexa-1,4-diene-1-carboxylic acid methyl ester 3,6-Dioxo-1-cyclohexa-1,4-dienecarboxylic acid methyl ester Methyl 3,6-bis(oxidanylidene)cyclohexa-1,4-diene-1-carboxylate Methyl 3,6-dioxocyclohexa-1,4-diene-1-carboxylate
Wiley ID 1489999