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3-(4-Methylphenyl)-3-hydroxy-1-methyl-3,4-dihydro-1H-naphtho[2,3-c]pyran-5,10-dione
SpectraBase Compound ID BSXzZYsqk7C
InChI InChI=1S/C21H18O4/c1-12-7-9-14(10-8-12)21(24)11-17-18(13(2)25-21)20(23)16-6-4-3-5-15(16)19(17)22/h3-10,13,24H,11H2,1-2H3
InChIKey GWGWUHNIXMADGB-UHFFFAOYSA-N
Mol Weight 334.37 g/mol
Molecular Formula C21H18O4
Exact Mass 334.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BZ5ruYJLGqs
Name 3-(4-Methylphenyl)-3-hydroxy-1-methyl-3,4-dihydro-1H-naphtho[2,3-C]pyran-5,10-dione
Comments Computed using HOSE algorithm
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Exact Mass 334.120509056 u
Formula C21H18O4
InChI InChI=1S/C21H18O4/c1-12-7-9-14(10-8-12)21(24)11-17-18(13(2)25-21)20(23)16-6-4-3-5-15(16)19(17)22/h3-10,13,24H,11H2,1-2H3
InChIKey GWGWUHNIXMADGB-UHFFFAOYSA-N
Molecular Weight 334.371 g/mol
SMILES C1(C2=C(CC(O1)(O)C=1C=CC(=CC1)C)C(C=1C=CC=CC1C2=O)=O)C