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Dimethylmalonic acid, 3-phenylpropyl tridecyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, 3-phenylpropyl tridecyl ester
SpectraBase Compound ID 7nxKRzhleyV
InChI InChI=1S/C27H44O4/c1-4-5-6-7-8-9-10-11-12-13-17-22-30-25(28)27(2,3)26(29)31-23-18-21-24-19-15-14-16-20-24/h14-16,19-20H,4-13,17-18,21-23H2,1-3H3
InChIKey QYCUHUBRYOEMAF-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LK4YXFmmgTc
Name Dimethylmalonic acid, 3-phenylpropyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.323959893 u
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-4-5-6-7-8-9-10-11-12-13-17-22-30-25(28)27(2,3)26(29)31-23-18-21-24-19-15-14-16-20-24/h14-16,19-20H,4-13,17-18,21-23H2,1-3H3
InChIKey QYCUHUBRYOEMAF-UHFFFAOYSA-N
Molecular Weight 432.645 g/mol
SMILES CCCCCCCCCCCCCOC(C(C(=O)OCCCC1=CC=CC=C1)(C)C)=O