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Diethylmalonic acid, 3-phenylpropyl tetradecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 3-phenylpropyl tetradecyl ester
SpectraBase Compound ID CTtETUYccGm
InChI InChI=1S/C30H50O4/c1-4-7-8-9-10-11-12-13-14-15-16-20-25-33-28(31)30(5-2,6-3)29(32)34-26-21-24-27-22-18-17-19-23-27/h17-19,22-23H,4-16,20-21,24-26H2,1-3H3
InChIKey UPYCRVKVGHOFDY-UHFFFAOYSA-N
Mol Weight 474.7 g/mol
Molecular Formula C30H50O4
Exact Mass 474.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DAJe1lKPa6M
Name Diethylmalonic acid, 3-phenylpropyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 474.370910086 u
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-4-7-8-9-10-11-12-13-14-15-16-20-25-33-28(31)30(5-2,6-3)29(32)34-26-21-24-27-22-18-17-19-23-27/h17-19,22-23H,4-16,20-21,24-26H2,1-3H3
InChIKey UPYCRVKVGHOFDY-UHFFFAOYSA-N
Molecular Weight 474.726 g/mol
SMILES C(C(C(OCCCCCCCCCCCCCC)=O)(C(OCCCC1=CC=CC=C1)=O)CC)C