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Dimethylmalonic acid, 3-phenylpropyl undecyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, 3-phenylpropyl undecyl ester
SpectraBase Compound ID 4FBtru6MInB
InChI InChI=1S/C25H40O4/c1-4-5-6-7-8-9-10-11-15-20-28-23(26)25(2,3)24(27)29-21-16-19-22-17-13-12-14-18-22/h12-14,17-18H,4-11,15-16,19-21H2,1-3H3
InChIKey LIWDTDKVKYHISX-UHFFFAOYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6SQbw0Gbt8G
Name Dimethylmalonic acid, 3-phenylpropyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 404.292659764 u
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-4-5-6-7-8-9-10-11-15-20-28-23(26)25(2,3)24(27)29-21-16-19-22-17-13-12-14-18-22/h12-14,17-18H,4-11,15-16,19-21H2,1-3H3
InChIKey LIWDTDKVKYHISX-UHFFFAOYSA-N
Molecular Weight 404.591 g/mol
SMILES CCCCCCCCCCCOC(C(C(=O)OCCCC1=CC=CC=C1)(C)C)=O