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Isophthalic acid, dodecyl 2-methylprop-2-en-1-yl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, dodecyl 2-methylprop-2-en-1-yl ester
SpectraBase Compound ID DbGEqCtyPOg
InChI InChI=1S/C24H36O4/c1-4-5-6-7-8-9-10-11-12-13-17-27-23(25)21-15-14-16-22(18-21)24(26)28-19-20(2)3/h14-16,18H,2,4-13,17,19H2,1,3H3
InChIKey VIMSDFONXAHINE-UHFFFAOYSA-N
Mol Weight 388.5 g/mol
Molecular Formula C24H36O4
Exact Mass 388.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EMZed0U6ByZ
Name Isophthalic acid, dodecyl 2-methylprop-2-en-1-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.261359635 u
Formula C24H36O4
InChI InChI=1S/C24H36O4/c1-4-5-6-7-8-9-10-11-12-13-17-27-23(25)21-15-14-16-22(18-21)24(26)28-19-20(2)3/h14-16,18H,2,4-13,17,19H2,1,3H3
InChIKey VIMSDFONXAHINE-UHFFFAOYSA-N
Molecular Weight 388.548 g/mol
SMILES CCCCCCCCCCCCOC(C=1C=C(C(OCC(C)=C)=O)C=CC1)=O