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Phthalic acid, 2,4-dimethylpent-3-yl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,4-dimethylpent-3-yl undecyl ester
SpectraBase Compound ID FKlBU36h5AP
InChI InChI=1S/C26H42O4/c1-6-7-8-9-10-11-12-13-16-19-29-25(27)22-17-14-15-18-23(22)26(28)30-24(20(2)3)21(4)5/h14-15,17-18,20-21,24H,6-13,16,19H2,1-5H3
InChIKey FIKFQEARKFOQQG-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 1mGY8Zzo5sL
Name Phthalic acid, 2,4-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/c1-6-7-8-9-10-11-12-13-16-19-29-25(27)22-17-14-15-18-23(22)26(28)30-24(20(2)3)21(4)5/h14-15,17-18,20-21,24H,6-13,16,19H2,1-5H3
InChIKey FIKFQEARKFOQQG-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES C1=C(C(=CC=C1)C(=O)OCCCCCCCCCCC)C(OC(C(C)C)C(C)C)=O