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Diethylmalonic acid, 3-phenylpropyl tridecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 3-phenylpropyl tridecyl ester
SpectraBase Compound ID Iwl79Y8f7gV
InChI InChI=1S/C29H48O4/c1-4-7-8-9-10-11-12-13-14-15-19-24-32-27(30)29(5-2,6-3)28(31)33-25-20-23-26-21-17-16-18-22-26/h16-18,21-22H,4-15,19-20,23-25H2,1-3H3
InChIKey OXJDZKGPIKIVGR-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C29H48O4
Exact Mass 460.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ZhyXThNvW2
Name Diethylmalonic acid, 3-phenylpropyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-4-7-8-9-10-11-12-13-14-15-19-24-32-27(30)29(5-2,6-3)28(31)33-25-20-23-26-21-17-16-18-22-26/h16-18,21-22H,4-15,19-20,23-25H2,1-3H3
InChIKey OXJDZKGPIKIVGR-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES CCC(C(OCCCCCCCCCCCCC)=O)(C(OCCCC1=CC=CC=C1)=O)CC