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(3-Methyl-1,4-dioxo-1,4-dihydro-2-naphthyl)acetic acid
SpectraBase Compound ID B0NeEPQxTby
InChI InChI=1S/C13H10O4/c1-7-10(6-11(14)15)13(17)9-5-3-2-4-8(9)12(7)16/h2-5H,6H2,1H3,(H,14,15)
InChIKey VPKOPDWUJDQYLF-UHFFFAOYSA-N
Mol Weight 230.22 g/mol
Molecular Formula C13H10O4
Exact Mass 230.057909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fh2gireCMaO
Name (3-Methyl-1,4-dioxo-1,4-dihydro-2-naphthyl)acetic acid
Comments Computed using HOSE algorithm
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Exact Mass 230.057908798 u
Formula C13H10O4
InChI InChI=1S/C13H10O4/c1-7-10(6-11(14)15)13(17)9-5-3-2-4-8(9)12(7)16/h2-5H,6H2,1H3,(H,14,15)
InChIKey VPKOPDWUJDQYLF-UHFFFAOYSA-N
Molecular Weight 230.219 g/mol
SMILES C12=C(C=CC=C2)C(C(=C(C1=O)C)CC(O)=O)=O