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Terephthalic acid, decyl 2-ethylhexyl ester

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Terephthalic acid, decyl 2-ethylhexyl ester
SpectraBase Compound ID 5ubXSClVRrP
InChI InChI=1S/C26H42O4/c1-4-7-9-10-11-12-13-14-20-29-25(27)23-16-18-24(19-17-23)26(28)30-21-22(6-3)15-8-5-2/h16-19,22H,4-15,20-21H2,1-3H3
InChIKey YZNGDCSEQUNYKE-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 Lx9D4XtUaap
Name Terephthalic acid, decyl 2-ethylhexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-4-7-9-10-11-12-13-14-20-29-25(27)23-16-18-24(19-17-23)26(28)30-21-22(6-3)15-8-5-2/h16-19,22H,4-15,20-21H2,1-3H3
InChIKey YZNGDCSEQUNYKE-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES CCCCCCCCCCOC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC