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Isophthalic acid, decyl 3-methylbut-2-en-1-yl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, decyl 3-methylbut-2-en-1-yl ester
SpectraBase Compound ID Fx0GLRlO3jJ
InChI InChI=1S/C23H34O4/c1-4-5-6-7-8-9-10-11-16-26-22(24)20-13-12-14-21(18-20)23(25)27-17-15-19(2)3/h12-15,18H,4-11,16-17H2,1-3H3
InChIKey LTRWLFNNKLTDKN-UHFFFAOYSA-N
Mol Weight 374.5 g/mol
Molecular Formula C23H34O4
Exact Mass 374.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1eJiQNUKboC
Name Isophthalic acid, decyl 3-methylbut-2-en-1-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.245709571 u
Formula C23H34O4
InChI InChI=1S/C23H34O4/c1-4-5-6-7-8-9-10-11-16-26-22(24)20-13-12-14-21(18-20)23(25)27-17-15-19(2)3/h12-15,18H,4-11,16-17H2,1-3H3
InChIKey LTRWLFNNKLTDKN-UHFFFAOYSA-N
Molecular Weight 374.521 g/mol
SMILES CCCCCCCCCCOC(C=1C=C(C(OCC=C(C)C)=O)C=CC1)=O