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

View entire compound with spectra: 1 NMR

Isophthalic acid, butyl cis-tetradec-3-enyl ester
SpectraBase Compound ID 1kyd3DRO6z0
InChI InChI=1S/C26H40O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-30-26(28)24-19-17-18-23(22-24)25(27)29-20-6-4-2/h14-15,17-19,22H,3-13,16,20-21H2,1-2H3/b15-14-
InChIKey IRVVUDUSMLTLMS-PFONDFGASA-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 8VdCfpyAzn5
Name Isophthalic acid, butyl cis-tetradec-3-enyl 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/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-30-26(28)24-19-17-18-23(22-24)25(27)29-20-6-4-2/h14-15,17-19,22H,3-13,16,20-21H2,1-2H3/b15-14-
InChIKey IRVVUDUSMLTLMS-PFONDFGASA-N
Molecular Weight 416.602 g/mol
SMILES C1=C(C=C(C=C1)C(=O)OCCCC)C(OCC\C=C/CCCCCCCCCC)=O