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Phthalic acid, 5-methoxy-3-methylpentyl tetradecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 5-methoxy-3-methylpentyl tetradecyl ester
SpectraBase Compound ID 8Zi0XQ4lEny
InChI InChI=1S/C29H48O5/c1-4-5-6-7-8-9-10-11-12-13-14-17-22-33-28(30)26-18-15-16-19-27(26)29(31)34-24-21-25(2)20-23-32-3/h15-16,18-19,25H,4-14,17,20-24H2,1-3H3
InChIKey IPZLKLINOALYEA-UHFFFAOYSA-N
Mol Weight 476.7 g/mol
Molecular Formula C29H48O5
Exact Mass 476.350175 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8IUw8PTtAqJ
Name Phthalic acid, 5-methoxy-3-methylpentyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 476.350174641 u
Formula C29H48O5
InChI InChI=1S/C29H48O5/c1-4-5-6-7-8-9-10-11-12-13-14-17-22-33-28(30)26-18-15-16-19-27(26)29(31)34-24-21-25(2)20-23-32-3/h15-16,18-19,25H,4-14,17,20-24H2,1-3H3
InChIKey IPZLKLINOALYEA-UHFFFAOYSA-N
Molecular Weight 476.698 g/mol
SMILES C(CCOC(C1=C(C=CC=C1)C(=O)OCCCCCCCCCCCCCC)=O)(CCOC)C