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Dimethylmalonic acid, 2-phenethyl tridecyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, 2-phenethyl tridecyl ester
SpectraBase Compound ID DzYl4Qo1voB
InChI InChI=1S/C26H42O4/c1-4-5-6-7-8-9-10-11-12-13-17-21-29-24(27)26(2,3)25(28)30-22-20-23-18-15-14-16-19-23/h14-16,18-19H,4-13,17,20-22H2,1-3H3
InChIKey SVZWGOYYGHBITR-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 FxLUYlCGUso
Name Dimethylmalonic acid, 2-phenethyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-4-5-6-7-8-9-10-11-12-13-17-21-29-24(27)26(2,3)25(28)30-22-20-23-18-15-14-16-19-23/h14-16,18-19H,4-13,17,20-22H2,1-3H3
InChIKey SVZWGOYYGHBITR-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES C1=CC=CC(=C1)CCOC(=O)C(C)(C)C(OCCCCCCCCCCCCC)=O