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Phthalic acid, 2-methylpent-3-yl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-methylpent-3-yl undecyl ester
SpectraBase Compound ID GAO8ur8DLa2
InChI InChI=1S/C25H40O4/c1-5-7-8-9-10-11-12-13-16-19-28-24(26)21-17-14-15-18-22(21)25(27)29-23(6-2)20(3)4/h14-15,17-18,20,23H,5-13,16,19H2,1-4H3
InChIKey UATSERYACAJAEU-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 jECyJdB2am
Name Phthalic acid, 2-methylpent-3-yl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 404.292659764 u
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-5-7-8-9-10-11-12-13-16-19-28-24(26)21-17-14-15-18-22(21)25(27)29-23(6-2)20(3)4/h14-15,17-18,20,23H,5-13,16,19H2,1-4H3
InChIKey UATSERYACAJAEU-UHFFFAOYSA-N
Molecular Weight 404.591 g/mol
SMILES C1(=CC=CC=C1C(OC(CC)C(C)C)=O)C(=O)OCCCCCCCCCCC