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Terephthalic acid, dodecyl 2-methylpent-3-yl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, dodecyl 2-methylpent-3-yl ester
SpectraBase Compound ID J5WpLPgRaO1
InChI InChI=1S/C26H42O4/c1-5-7-8-9-10-11-12-13-14-15-20-29-25(27)22-16-18-23(19-17-22)26(28)30-24(6-2)21(3)4/h16-19,21,24H,5-15,20H2,1-4H3
InChIKey DLLJDYCLMZWQAO-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 Ec20iKbEyok
Name Terephthalic acid, dodecyl 2-methylpent-3-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-5-7-8-9-10-11-12-13-14-15-20-29-25(27)22-16-18-23(19-17-22)26(28)30-24(6-2)21(3)4/h16-19,21,24H,5-15,20H2,1-4H3
InChIKey DLLJDYCLMZWQAO-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES C(C(OC(C1=CC=C(C(OCCCCCCCCCCCC)=O)C=C1)=O)CC)(C)C