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Terephthalic acid, 2-ethylbutyl undecyl ester

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Terephthalic acid, 2-ethylbutyl undecyl ester
SpectraBase Compound ID BuK2nafJ812
InChI InChI=1S/C25H40O4/c1-4-7-8-9-10-11-12-13-14-19-28-24(26)22-15-17-23(18-16-22)25(27)29-20-21(5-2)6-3/h15-18,21H,4-14,19-20H2,1-3H3
InChIKey WHDKVDGVPQWOLT-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 7I33ItoBBy2
Name Terephthalic acid, 2-ethylbutyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.292659764 u
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-4-7-8-9-10-11-12-13-14-19-28-24(26)22-15-17-23(18-16-22)25(27)29-20-21(5-2)6-3/h15-18,21H,4-14,19-20H2,1-3H3
InChIKey WHDKVDGVPQWOLT-UHFFFAOYSA-N
Molecular Weight 404.591 g/mol
SMILES C1=C(C=CC(=C1)C(OCC(CC)CC)=O)C(OCCCCCCCCCCC)=O