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Diethylmalonic acid, di(1-phenylpropyl) ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, di(1-phenylpropyl) ester
SpectraBase Compound ID FqvqooTE7eK
InChI InChI=1S/C25H32O4/c1-5-21(19-15-11-9-12-16-19)28-23(26)25(7-3,8-4)24(27)29-22(6-2)20-17-13-10-14-18-20/h9-18,21-22H,5-8H2,1-4H3
InChIKey PSQVCHZPWRKXTJ-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C25H32O4
Exact Mass 396.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 21gNREKmMEE
Name Diethylmalonic acid, di(1-phenylpropyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 396.230059506 u
Formula C25H32O4
InChI InChI=1S/C25H32O4/c1-5-21(19-15-11-9-12-16-19)28-23(26)25(7-3,8-4)24(27)29-22(6-2)20-17-13-10-14-18-20/h9-18,21-22H,5-8H2,1-4H3
InChIKey PSQVCHZPWRKXTJ-UHFFFAOYSA-N
Molecular Weight 396.527 g/mol
SMILES CCC(C(OC(CC)C1=CC=CC=C1)=O)(C(OC(C1=CC=CC=C1)CC)=O)CC