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Dimethylmalonic acid, octadecyl 3-phenylpropyl ester

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Dimethylmalonic acid, octadecyl 3-phenylpropyl ester
SpectraBase Compound ID 4fzkpGlN42O
InChI InChI=1S/C32H54O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-27-35-30(33)32(2,3)31(34)36-28-23-26-29-24-20-19-21-25-29/h19-21,24-25H,4-18,22-23,26-28H2,1-3H3
InChIKey RTQUSFKTROWEEG-UHFFFAOYSA-N
Mol Weight 502.8 g/mol
Molecular Formula C32H54O4
Exact Mass 502.40221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 86us9mDOnoW
Name Dimethylmalonic acid, octadecyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 502.402210215 u
Formula C32H54O4
InChI InChI=1S/C32H54O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-27-35-30(33)32(2,3)31(34)36-28-23-26-29-24-20-19-21-25-29/h19-21,24-25H,4-18,22-23,26-28H2,1-3H3
InChIKey RTQUSFKTROWEEG-UHFFFAOYSA-N
Molecular Weight 502.780 g/mol
SMILES CCCCCCCCCCCCCCCCCCOC(C(C(=O)OCCCC1=CC=CC=C1)(C)C)=O