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Terephthalic acid, cyclohexylmethyl undecyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, cyclohexylmethyl undecyl ester
SpectraBase Compound ID J4XsaOLw1AQ
InChI InChI=1S/C26H40O4/c1-2-3-4-5-6-7-8-9-13-20-29-25(27)23-16-18-24(19-17-23)26(28)30-21-22-14-11-10-12-15-22/h16-19,22H,2-15,20-21H2,1H3
InChIKey XCHPDCPTTAXMMI-UHFFFAOYSA-N
Mol Weight 416.6 g/mol
Molecular Formula C26H40O4
Exact Mass 416.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 50fsNODaGqM
Name Terephthalic acid, cyclohexylmethyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.292659764 u
Formula C26H40O4
InChI InChI=1S/C26H40O4/c1-2-3-4-5-6-7-8-9-13-20-29-25(27)23-16-18-24(19-17-23)26(28)30-21-22-14-11-10-12-15-22/h16-19,22H,2-15,20-21H2,1H3
InChIKey XCHPDCPTTAXMMI-UHFFFAOYSA-N
Molecular Weight 416.602 g/mol
SMILES C(CCCOC(C1=CC=C(C=C1)C(OCC1CCCCC1)=O)=O)CCCCCCC