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Terephthalic acid, 3-methylbutyl undecyl ester

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Terephthalic acid, 3-methylbutyl undecyl ester
SpectraBase Compound ID ARhWr1FKzFH
InChI InChI=1S/C24H38O4/c1-4-5-6-7-8-9-10-11-12-18-27-23(25)21-13-15-22(16-14-21)24(26)28-19-17-20(2)3/h13-16,20H,4-12,17-19H2,1-3H3
InChIKey ASTMMCZNRITGDU-UHFFFAOYSA-N
Mol Weight 390.6 g/mol
Molecular Formula C24H38O4
Exact Mass 390.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EyIfXG6bgWg
Name Terephthalic acid, 3-methylbutyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 390.277009700 u
Formula C24H38O4
InChI InChI=1S/C24H38O4/c1-4-5-6-7-8-9-10-11-12-18-27-23(25)21-13-15-22(16-14-21)24(26)28-19-17-20(2)3/h13-16,20H,4-12,17-19H2,1-3H3
InChIKey ASTMMCZNRITGDU-UHFFFAOYSA-N
Molecular Weight 390.564 g/mol
SMILES C1=C(C=CC(=C1)C(OCCC(C)C)=O)C(OCCCCCCCCCCC)=O