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Isophthalic acid, cis-tetradec-3-enyl isobutyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, cis-tetradec-3-enyl isobutyl ester
SpectraBase Compound ID DIewYNopZUv
InChI InChI=1S/C26H40O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-29-25(27)23-17-16-18-24(20-23)26(28)30-21-22(2)3/h13-14,16-18,20,22H,4-12,15,19,21H2,1-3H3/b14-13-
InChIKey BONDHZVIPJVELM-YPKPFQOOSA-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 ODleRJfdbf
Name Isophthalic acid, cis-tetradec-3-enyl isobutyl 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/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-29-25(27)23-17-16-18-24(20-23)26(28)30-21-22(2)3/h13-14,16-18,20,22H,4-12,15,19,21H2,1-3H3/b14-13-
InChIKey BONDHZVIPJVELM-YPKPFQOOSA-N
Molecular Weight 416.602 g/mol
SMILES C1=C(C=C(C=C1)C(=O)OCC(C)C)C(OCC\C=C/CCCCCCCCCC)=O