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Terephthalic acid, 3-methylbutyl tridecyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 3-methylbutyl tridecyl ester
SpectraBase Compound ID 1UZ7CY6Xciz
InChI InChI=1S/C26H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-20-29-25(27)23-15-17-24(18-16-23)26(28)30-21-19-22(2)3/h15-18,22H,4-14,19-21H2,1-3H3
InChIKey VPDAYXOUERWLNC-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 JMyXHW5G2Ut
Name Terephthalic acid, 3-methylbutyl tridecyl 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/c1-4-5-6-7-8-9-10-11-12-13-14-20-29-25(27)23-15-17-24(18-16-23)26(28)30-21-19-22(2)3/h15-18,22H,4-14,19-21H2,1-3H3
InChIKey VPDAYXOUERWLNC-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES C1=C(C=CC(=C1)C(OCCC(C)C)=O)C(OCCCCCCCCCCCCC)=O