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Terephthalic acid, dec-4-enyl isohexyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, dec-4-enyl isohexyl ester
SpectraBase Compound ID 3jsVmOUe60T
InChI InChI=1S/C24H36O4/c1-4-5-6-7-8-9-10-11-18-27-23(25)21-14-16-22(17-15-21)24(26)28-19-12-13-20(2)3/h8-9,14-17,20H,4-7,10-13,18-19H2,1-3H3/b9-8+
InChIKey XHWSGDXZLUFDOC-CMDGGOBGSA-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 8ECCZNBIO1X
Name Terephthalic acid, dec-4-enyl isohexyl 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/c1-4-5-6-7-8-9-10-11-18-27-23(25)21-14-16-22(17-15-21)24(26)28-19-12-13-20(2)3/h8-9,14-17,20H,4-7,10-13,18-19H2,1-3H3/b9-8+
InChIKey XHWSGDXZLUFDOC-CMDGGOBGSA-N
Molecular Weight 388.548 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCC(C)C)=O)C(OCCC\C=C\CCCCC)=O