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Benzoic acid, 4-methoxy-2-[3-methoxy-4-(methoxycarbonyl)-5-methylphenoxy]-6-methyl-, phenylmethyl ester
SpectraBase Compound ID KiuDmkqWpXV
InChI InChI=1S/C26H26O7/c1-16-11-19(29-3)13-22(24(16)26(28)32-15-18-9-7-6-8-10-18)33-20-12-17(2)23(25(27)31-5)21(14-20)30-4/h6-14H,15H2,1-5H3
InChIKey QMDBRPJOOFYXPL-UHFFFAOYSA-N
Mol Weight 450.49 g/mol
Molecular Formula C26H26O7
Exact Mass 450.167853 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kd3BwbrT5fN
Name Benzoic acid, 4-methoxy-2-[3-methoxy-4-(methoxycarbonyl)-5-methylphenoxy]-6-methyl-, phenylmethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 450.167853170 u
Formula C26H26O7
InChI InChI=1S/C26H26O7/c1-16-11-19(29-3)13-22(24(16)26(28)32-15-18-9-7-6-8-10-18)33-20-12-17(2)23(25(27)31-5)21(14-20)30-4/h6-14H,15H2,1-5H3
InChIKey QMDBRPJOOFYXPL-UHFFFAOYSA-N
Molecular Weight 450.487 g/mol
SMILES C=1(C(OC=2C=C(OC)C(=C(C2)C)C(=O)OC)=CC(=CC1C)OC)C(OCC=1C=CC=CC1)=O