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Dimethylmalonic acid, dodecyl 3-phenylpropyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, dodecyl 3-phenylpropyl ester
SpectraBase Compound ID 4VMG0sCTCs5
InChI InChI=1S/C26H42O4/c1-4-5-6-7-8-9-10-11-12-16-21-29-24(27)26(2,3)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 QPFJTHGMDKGRNC-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 3iVbnFOZ15o
Name Dimethylmalonic acid, dodecyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-4-5-6-7-8-9-10-11-12-16-21-29-24(27)26(2,3)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 QPFJTHGMDKGRNC-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES CCCCCCCCCCCCOC(C(C(=O)OCCCC1=CC=CC=C1)(C)C)=O