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Isophthalic acid, octyl 4-tert-butylcyclohexyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, octyl 4-tert-butylcyclohexyl ester
SpectraBase Compound ID 8pnUR9S7fsy
InChI InChI=1S/C26H40O4/c1-5-6-7-8-9-10-18-29-24(27)20-12-11-13-21(19-20)25(28)30-23-16-14-22(15-17-23)26(2,3)4/h11-13,19,22-23H,5-10,14-18H2,1-4H3
InChIKey FEGDZDGBNXUQAY-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 36vXZEptmb9
Name Isophthalic acid, octyl 4-tert-butylcyclohexyl 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/c1-5-6-7-8-9-10-18-29-24(27)20-12-11-13-21(19-20)25(28)30-23-16-14-22(15-17-23)26(2,3)4/h11-13,19,22-23H,5-10,14-18H2,1-4H3
InChIKey FEGDZDGBNXUQAY-UHFFFAOYSA-N
Molecular Weight 416.602 g/mol
SMILES CC(C1CCC(CC1)OC(C1=CC(=CC=C1)C(OCCCCCCCC)=O)=O)(C)C