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Dimethylmalonic acid, di(3-phenylpropyl) ester
SpectraBase Compound ID EFWGpZhVWWv
InChI InChI=1S/C23H28O4/c1-23(2,21(24)26-17-9-15-19-11-5-3-6-12-19)22(25)27-18-10-16-20-13-7-4-8-14-20/h3-8,11-14H,9-10,15-18H2,1-2H3
InChIKey NYJIXRFZLWGUNS-UHFFFAOYSA-N
Mol Weight 368.47 g/mol
Molecular Formula C23H28O4
Exact Mass 368.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7GVSxiuMLuc
Name Dimethylmalonic acid, di(3-phenylpropyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 368.198759378 u
Formula C23H28O4
InChI InChI=1S/C23H28O4/c1-23(2,21(24)26-17-9-15-19-11-5-3-6-12-19)22(25)27-18-10-16-20-13-7-4-8-14-20/h3-8,11-14H,9-10,15-18H2,1-2H3
InChIKey NYJIXRFZLWGUNS-UHFFFAOYSA-N
Molecular Weight 368.473 g/mol
SMILES C1=CC=C(C=C1)CCCOC(C(C(=O)OCCCC1=CC=CC=C1)(C)C)=O