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Phthalic acid, decyl trans-hex-3-enyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, decyl trans-hex-3-enyl ester
SpectraBase Compound ID AmFiWJeVt4v
InChI InChI=1S/C24H36O4/c1-3-5-7-9-10-11-12-16-20-28-24(26)22-18-14-13-17-21(22)23(25)27-19-15-8-6-4-2/h6,8,13-14,17-18H,3-5,7,9-12,15-16,19-20H2,1-2H3/b8-6+
InChIKey LVSDPEAWBILCAX-SOFGYWHQSA-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 98W8BVcahWK
Name Phthalic acid, decyl trans-hex-3-enyl 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/c1-3-5-7-9-10-11-12-16-20-28-24(26)22-18-14-13-17-21(22)23(25)27-19-15-8-6-4-2/h6,8,13-14,17-18H,3-5,7,9-12,15-16,19-20H2,1-2H3/b8-6+
InChIKey LVSDPEAWBILCAX-SOFGYWHQSA-N
Molecular Weight 388.548 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCCC)=O)C(OCC\C=C\CC)=O