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Isophthalic acid, heptyl undec-2-en-1-yl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, heptyl undec-2-en-1-yl ester
SpectraBase Compound ID lFyA9Br3iK
InChI InChI=1S/C26H40O4/c1-3-5-7-9-10-11-12-14-16-21-30-26(28)24-19-17-18-23(22-24)25(27)29-20-15-13-8-6-4-2/h14,16-19,22H,3-13,15,20-21H2,1-2H3/b16-14+
InChIKey IALKLWFLSRIWPU-JQIJEIRASA-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 DaRKimdS69G
Name Isophthalic acid, heptyl undec-2-en-1-yl 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/c1-3-5-7-9-10-11-12-14-16-21-30-26(28)24-19-17-18-23(22-24)25(27)29-20-15-13-8-6-4-2/h14,16-19,22H,3-13,15,20-21H2,1-2H3/b16-14+
InChIKey IALKLWFLSRIWPU-JQIJEIRASA-N
Molecular Weight 416.602 g/mol
SMILES C1(=CC(=CC=C1)C(OCCCCCCC)=O)C(OC\C=C\CCCCCCCC)=O