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Methyl 3-(2-Methoxy-4-methylphenyl)-8-methoxy-1,4-naphthoquinone-2-carboxylate
SpectraBase Compound ID JkpHTURewOx
InChI InChI=1S/C21H18O6/c1-11-8-9-12(15(10-11)26-3)17-18(21(24)27-4)20(23)16-13(19(17)22)6-5-7-14(16)25-2/h5-10H,1-4H3
InChIKey VPNPHRKVWANTEY-UHFFFAOYSA-N
Mol Weight 366.37 g/mol
Molecular Formula C21H18O6
Exact Mass 366.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Aa5EPmEwi
Name Methyl 3-(2-Methoxy-4-methylphenyl)-8-methoxy-1,4-naphthoquinone-2-carboxylate
CAS Registry Number 139976-04-8
Comments Less than 3 mono-isotopic peaks
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Formula C21H18O6
InChI InChI=1S/C21H18O6/c1-11-8-9-12(15(10-11)26-3)17-18(21(24)27-4)20(23)16-13(19(17)22)6-5-7-14(16)25-2/h5-10H,1-4H3
InChIKey VPNPHRKVWANTEY-UHFFFAOYSA-N
Molecular Weight 366.369 g/mol
SMILES C1(=C(C(=O)c2c(C1=O)c(OC)ccc2)c1c(cc(cc1)C)OC)C(=O)OC
SPLASH splash10-014j-0709000000-3b335dc00f01f4f69ca9
Source of Spectrum J-57-2779-19
Synonyms methyl 8-methoxy-3-(2-methoxy-4-methylphenyl)-1,4-dioxo-1,4-dihydro-2-naphthalenecarboxylate
Wiley ID 1352006