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

View entire compound with spectra: 1 NMR

Phthalic acid, undecyl 3,3-dimethylbut-2-yl ester
SpectraBase Compound ID ETYBr4WI7dD
InChI InChI=1S/C25H40O4/c1-6-7-8-9-10-11-12-13-16-19-28-23(26)21-17-14-15-18-22(21)24(27)29-20(2)25(3,4)5/h14-15,17-18,20H,6-13,16,19H2,1-5H3
InChIKey UJJUSDNENGWUAH-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 CTrYeeyayxS
Name Phthalic acid, undecyl 3,3-dimethylbut-2-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 404.292659764 u
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-6-7-8-9-10-11-12-13-16-19-28-23(26)21-17-14-15-18-22(21)24(27)29-20(2)25(3,4)5/h14-15,17-18,20H,6-13,16,19H2,1-5H3
InChIKey UJJUSDNENGWUAH-UHFFFAOYSA-N
Molecular Weight 404.591 g/mol
SMILES C1=CC=CC(=C1C(OC(C(C)(C)C)C)=O)C(OCCCCCCCCCCC)=O