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2-[4(a)-(Methoxycarbonyl)cyclohex-(e)-yl]-3-methyl-1,4-naphthoquinone
SpectraBase Compound ID 8UrXWXCWjxi
InChI InChI=1S/C19H20O4/c1-11-16(12-7-9-13(10-8-12)19(22)23-2)18(21)15-6-4-3-5-14(15)17(11)20/h3-6,12-13H,7-10H2,1-2H3
InChIKey VRSZLPYIYQABPL-UHFFFAOYSA-N
Mol Weight 312.37 g/mol
Molecular Formula C19H20O4
Exact Mass 312.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vGspcZyyW
Name 2-[4(a)-(Methoxycarbonyl)cyclohex-(e)-yl]-3-methyl-1,4-naphthoquinone
Alternate Name(s) 2-[4(e)-(Methoxycarbonyl)cyclohex-(e)-yl]-3-methyl-1,4-naphthoquinone methyl 4-(3-methyl-1,4-dioxo-1,4-dihydro-2-naphthalenyl)cyclohexanecarboxylate 4-(3-methyl-1,4-dioxo-2-naphthalenyl)-1-cyclohexanecarboxylic acid methyl ester methyl 4-(3-methyl-1,4-dioxonaphthalen-2-yl)cyclohexane-1-carboxylate methyl 4-(3-methyl-1,4-dioxo-2-naphthyl)cyclohexanecarboxylate methyl 4-[3-methyl-1,4-bis(oxidanylidene)naphthalen-2-yl]cyclohexane-1-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C19H20O4
InChI InChI=1S/C19H20O4/c1-11-16(12-7-9-13(10-8-12)19(22)23-2)18(21)15-6-4-3-5-14(15)17(11)20/h3-6,12-13H,7-10H2,1-2H3
InChIKey VRSZLPYIYQABPL-UHFFFAOYSA-N
Molecular Weight 312.365 g/mol
SMILES C1(=C(C(=O)c2c(C1=O)cccc2)C1CCC(C(=O)OC)CC1)C
SPLASH splash10-0ik9-0069000000-845a06b19ae433474570
Source of Spectrum J-62-8674-14
Wiley ID 1313522