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2-Phenyl 1,2-dimethyl p-methylphenylethene-tricarboxylate
SpectraBase Compound ID JWLxJ7HsXhx
InChI InChI=1S/C20H18O6/c1-13-9-11-15(12-10-13)26-20(23)17(19(22)25-3)16(18(21)24-2)14-7-5-4-6-8-14/h4-12H,1-3H3/b17-16+
InChIKey VUKWRPQVFNZQLQ-WUKNDPDISA-N
Mol Weight 354.36 g/mol
Molecular Formula C20H18O6
Exact Mass 354.110338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C8JU59B6gRw
Name 2-Phenyl 1,2-dimethyl p-methylphenylethene-tricarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 354.110338294 u
Formula C20H18O6
InChI InChI=1S/C20H18O6/c1-13-9-11-15(12-10-13)26-20(23)17(19(22)25-3)16(18(21)24-2)14-7-5-4-6-8-14/h4-12H,1-3H3/b17-16+
InChIKey VUKWRPQVFNZQLQ-WUKNDPDISA-N
Molecular Weight 354.358 g/mol
SMILES C(\C(=C\(C(=O)OC)C=1C=CC=CC1)C(=O)OC)(OC1=CC=C(C=C1)C)=O