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Dimethylmalonic acid, 3-phenylpropyl tetradecyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, 3-phenylpropyl tetradecyl ester
SpectraBase Compound ID E3C7j8hurQy
InChI InChI=1S/C28H46O4/c1-4-5-6-7-8-9-10-11-12-13-14-18-23-31-26(29)28(2,3)27(30)32-24-19-22-25-20-16-15-17-21-25/h15-17,20-21H,4-14,18-19,22-24H2,1-3H3
InChIKey XICPFQPMKUBHFJ-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K7c50uBURjY
Name Dimethylmalonic acid, 3-phenylpropyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-4-5-6-7-8-9-10-11-12-13-14-18-23-31-26(29)28(2,3)27(30)32-24-19-22-25-20-16-15-17-21-25/h15-17,20-21H,4-14,18-19,22-24H2,1-3H3
InChIKey XICPFQPMKUBHFJ-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES CCCCCCCCCCCCCCOC(C(C(=O)OCCCC1=CC=CC=C1)(C)C)=O