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Terephthalic acid, 3-methylbut-2-yl tridecyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 3-methylbut-2-yl tridecyl ester
SpectraBase Compound ID BjZSmBpU34d
InChI InChI=1S/C26H42O4/c1-5-6-7-8-9-10-11-12-13-14-15-20-29-25(27)23-16-18-24(19-17-23)26(28)30-22(4)21(2)3/h16-19,21-22H,5-15,20H2,1-4H3
InChIKey JIPMGTYIYWXVGI-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 JBS72PEI5J3
Name Terephthalic acid, 3-methylbut-2-yl 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/c1-5-6-7-8-9-10-11-12-13-14-15-20-29-25(27)23-16-18-24(19-17-23)26(28)30-22(4)21(2)3/h16-19,21-22H,5-15,20H2,1-4H3
InChIKey JIPMGTYIYWXVGI-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES C1=C(C=CC(=C1)C(OCCCCCCCCCCCCC)=O)C(OC(C)C(C)C)=O