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2-(1,3-Diphenylpropan-2-yl)propanedioic acid diethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-(1,3-Diphenylpropan-2-yl)propanedioic acid diethyl ester
SpectraBase Compound ID H0rFQ2CbIbh
InChI InChI=1S/C22H26O4/c1-3-25-21(23)20(22(24)26-4-2)19(15-17-11-7-5-8-12-17)16-18-13-9-6-10-14-18/h5-14,19-20H,3-4,15-16H2,1-2H3
InChIKey KPXARPHQDJQMHY-UHFFFAOYSA-N
Mol Weight 354.45 g/mol
Molecular Formula C22H26O4
Exact Mass 354.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IsKcikXC93b
Name 2-(1,3-Diphenylpropan-2-yl)propanedioic acid diethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 354.183109313 u
Formula C22H26O4
InChI InChI=1S/C22H26O4/c1-3-25-21(23)20(22(24)26-4-2)19(15-17-11-7-5-8-12-17)16-18-13-9-6-10-14-18/h5-14,19-20H,3-4,15-16H2,1-2H3
InChIKey KPXARPHQDJQMHY-UHFFFAOYSA-N
Molecular Weight 354.446 g/mol
SMILES C(C(CC=1C=CC=CC1)CC=1C=CC=CC1)(C(=O)OCC)C(=O)OCC