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3-(4-Methoxyphenyl)-3-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl) propanoic acid
SpectraBase Compound ID 8i0jQVrUzik
InChI InChI=1S/C21H18O5/c1-12-19(21(25)16-6-4-3-5-15(16)20(12)24)17(11-18(22)23)13-7-9-14(26-2)10-8-13/h3-10,17H,11H2,1-2H3,(H,22,23)
InChIKey LSGGLAYFGMRQAW-UHFFFAOYSA-N
Mol Weight 350.37 g/mol
Molecular Formula C21H18O5
Exact Mass 350.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2R5mfxLKPDq
Name 3-(4-Methoxyphenyl)-3-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl) propanoic acid
Alternate Name(s) 3-(4-Methoxyphenyl)-3-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)propanoic acid 3-(4-Methoxyphenyl)-3-(3-methyl-1,4-dioxo-2-naphthalenyl)propanoic acid 3-(4-Methoxyphenyl)-3-(3-methyl-1,4-dioxonaphthalen-2-yl)propanoic acid 3-(4-Methoxyphenyl)-3-(3-methyl-1,4-dioxo-2-naphthyl)propanoic acid 3-(4-Methoxyphenyl)-3-[3-methyl-1,4-bis(oxidanylidene)naphthalen-2-yl]propanoic acid
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Formula C21H18O5
InChI InChI=1S/C21H18O5/c1-12-19(21(25)16-6-4-3-5-15(16)20(12)24)17(11-18(22)23)13-7-9-14(26-2)10-8-13/h3-10,17H,11H2,1-2H3,(H,22,23)
InChIKey LSGGLAYFGMRQAW-UHFFFAOYSA-N
Molecular Weight 350.370 g/mol
SMILES OC(CC(C1=C(C(=O)c2c(C1=O)cccc2)C)c1ccc(cc1)OC)=O
SPLASH splash10-0f79-0609000000-1911c80f58eac84dd587
Source of Spectrum F-69-55-14
Wiley ID 1737344