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Benzoic acid, 4-[5-hydroxy-2-(methoxycarbonyl)-3-methylphenoxy]-2-methoxy-6-methyl-, phenylmethyl ester
SpectraBase Compound ID 8KT2saU3JFR
InChI InChI=1S/C25H24O7/c1-15-10-18(26)12-21(23(15)24(27)30-4)32-19-11-16(2)22(20(13-19)29-3)25(28)31-14-17-8-6-5-7-9-17/h5-13,26H,14H2,1-4H3
InChIKey CBAMGMIIPDJBOW-UHFFFAOYSA-N
Mol Weight 436.46 g/mol
Molecular Formula C25H24O7
Exact Mass 436.152203 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gm9OCA7IAkS
Name Benzoic acid, 4-[5-hydroxy-2-(methoxycarbonyl)-3-methylphenoxy]-2-methoxy-6-methyl-, phenylmethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 436.152203106 u
Formula C25H24O7
InChI InChI=1S/C25H24O7/c1-15-10-18(26)12-21(23(15)24(27)30-4)32-19-11-16(2)22(20(13-19)29-3)25(28)31-14-17-8-6-5-7-9-17/h5-13,26H,14H2,1-4H3
InChIKey CBAMGMIIPDJBOW-UHFFFAOYSA-N
Molecular Weight 436.460 g/mol
SMILES C=1(C(OC=2C=C(OC)C(=C(C2)C)C(OCC=2C=CC=CC2)=O)=CC(=CC1C)O)C(=O)OC