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Benzoic acid, 2,4-dimethoxy-6-methyl-, 4-carboxy-3-methoxy-5-methylphenyl ester, tms ester
SpectraBase Compound ID 3rC83CCCoxT
InChI InChI=1S/C22H28O7Si/c1-13-9-15(25-3)11-17(26-4)19(13)21(23)28-16-10-14(2)20(18(12-16)27-5)22(24)29-30(6,7)8/h9-12H,1-8H3
InChIKey FRDFWCIIWZEXON-UHFFFAOYSA-N
Mol Weight 432.54 g/mol
Molecular Formula C22H28O7Si
Exact Mass 432.16043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JPlnvOtEq47
Name Benzoic acid, 2,4-dimethoxy-6-methyl-, 4-carboxy-3-methoxy-5-methylphenyl ester, tms ester
Comments Computed using HOSE algorithm
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Exact Mass 432.160429770 u
Formula C22H28O7Si
InChI InChI=1S/C22H28O7Si/c1-13-9-15(25-3)11-17(26-4)19(13)21(23)28-16-10-14(2)20(18(12-16)27-5)22(24)29-30(6,7)8/h9-12H,1-8H3
InChIKey FRDFWCIIWZEXON-UHFFFAOYSA-N
Molecular Weight 432.544 g/mol
SMILES C1=C(C=C(C(=C1OC)C(OC1=CC(=C(C(=C1)OC)C(O[Si](C)(C)C)=O)C)=O)C)OC