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

View entire compound with spectra: 1 NMR

Phthalic acid, 2,2-dimethylpent-3-yl undecyl ester
SpectraBase Compound ID 75rZqNdEyBt
InChI InChI=1S/C26H42O4/c1-6-8-9-10-11-12-13-14-17-20-29-24(27)21-18-15-16-19-22(21)25(28)30-23(7-2)26(3,4)5/h15-16,18-19,23H,6-14,17,20H2,1-5H3
InChIKey SKDDWDFBJPDDRB-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 74adtNYVSUZ
Name Phthalic acid, 2,2-dimethylpent-3-yl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-6-8-9-10-11-12-13-14-17-20-29-24(27)21-18-15-16-19-22(21)25(28)30-23(7-2)26(3,4)5/h15-16,18-19,23H,6-14,17,20H2,1-5H3
InChIKey SKDDWDFBJPDDRB-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES C1=CC(=C(C=C1)C(OCCCCCCCCCCC)=O)C(OC(CC)C(C)(C)C)=O