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Diethyl [(4-benzoyloxy)-1-phenylbutyl]malonate

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

Diethyl [(4-benzoyloxy)-1-phenylbutyl]malonate
SpectraBase Compound ID ItRMP63Mcbe
InChI InChI=1S/C24H28O6/c1-3-28-23(26)21(24(27)29-4-2)20(18-12-7-5-8-13-18)16-11-17-30-22(25)19-14-9-6-10-15-19/h5-10,12-15,20-21H,3-4,11,16-17H2,1-2H3
InChIKey PYGVLIIFHUIQBA-UHFFFAOYSA-N
Mol Weight 412.48 g/mol
Molecular Formula C24H28O6
Exact Mass 412.188589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9kh6LQrtXJi
Name Diethyl [(4-benzoyloxy)-1-phenylbutyl]malonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.188588616 u
Formula C24H28O6
InChI InChI=1S/C24H28O6/c1-3-28-23(26)21(24(27)29-4-2)20(18-12-7-5-8-13-18)16-11-17-30-22(25)19-14-9-6-10-15-19/h5-10,12-15,20-21H,3-4,11,16-17H2,1-2H3
InChIKey PYGVLIIFHUIQBA-UHFFFAOYSA-N
Molecular Weight 412.482 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)C(C=1C=CC=CC1)CCCOC(=O)C1=CC=CC=C1