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Diethylmalonic acid, heptyl 3-phenylpropyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Diethylmalonic acid, heptyl 3-phenylpropyl ester
SpectraBase Compound ID 3Jutfo5WI0M
InChI InChI=1S/C23H36O4/c1-4-7-8-9-13-18-26-21(24)23(5-2,6-3)22(25)27-19-14-17-20-15-11-10-12-16-20/h10-12,15-16H,4-9,13-14,17-19H2,1-3H3
InChIKey QKCRZNPKMVRGEA-UHFFFAOYSA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H36O4
Exact Mass 376.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3zuzPpOyZHE
Name Diethylmalonic acid, heptyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 376.261359635 u
Formula C23H36O4
InChI InChI=1S/C23H36O4/c1-4-7-8-9-13-18-26-21(24)23(5-2,6-3)22(25)27-19-14-17-20-15-11-10-12-16-20/h10-12,15-16H,4-9,13-14,17-19H2,1-3H3
InChIKey QKCRZNPKMVRGEA-UHFFFAOYSA-N
Molecular Weight 376.537 g/mol
SMILES C(C(C(OCCCCCCC)=O)(C(OCCCC1=CC=CC=C1)=O)CC)C