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Diethylmalonic acid, decyl 3-phenylpropyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, decyl 3-phenylpropyl ester
SpectraBase Compound ID CqwnDhcdV5t
InChI InChI=1S/C26H42O4/c1-4-7-8-9-10-11-12-16-21-29-24(27)26(5-2,6-3)25(28)30-22-17-20-23-18-14-13-15-19-23/h13-15,18-19H,4-12,16-17,20-22H2,1-3H3
InChIKey PWXDBQJXRJJADL-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H42O4
Exact Mass 418.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9I0hmtHLlSR
Name Diethylmalonic acid, decyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-4-7-8-9-10-11-12-16-21-29-24(27)26(5-2,6-3)25(28)30-22-17-20-23-18-14-13-15-19-23/h13-15,18-19H,4-12,16-17,20-22H2,1-3H3
InChIKey PWXDBQJXRJJADL-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES CCC(C(OCCCCCCCCCC)=O)(C(OCCCC1=CC=CC=C1)=O)CC