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2-(1,2,3-Triphenylpropyl)malonic acid diethyl ester

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2-(1,2,3-Triphenylpropyl)malonic acid diethyl ester
SpectraBase Compound ID CYRJTezGSB0
InChI InChI=1S/C28H30O4/c1-3-31-27(29)26(28(30)32-4-2)25(23-18-12-7-13-19-23)24(22-16-10-6-11-17-22)20-21-14-8-5-9-15-21/h5-19,24-26H,3-4,20H2,1-2H3
InChIKey IHRMJXLWDCQHLT-UHFFFAOYSA-N
Mol Weight 430.54 g/mol
Molecular Formula C28H30O4
Exact Mass 430.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 23j7edord1T
Name 2-(1,2,3-Triphenylpropyl)malonic acid diethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.214409442 u
Formula C28H30O4
InChI InChI=1S/C28H30O4/c1-3-31-27(29)26(28(30)32-4-2)25(23-18-12-7-13-19-23)24(22-16-10-6-11-17-22)20-21-14-8-5-9-15-21/h5-19,24-26H,3-4,20H2,1-2H3
InChIKey IHRMJXLWDCQHLT-UHFFFAOYSA-N
Molecular Weight 430.544 g/mol
SMILES C(C(C(CC=1C=CC=CC1)C1=CC=CC=C1)C=1C=CC=CC1)(C(=O)OCC)C(=O)OCC