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Sebacic acid, isohexyl oct-3-en-2-yl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Sebacic acid, isohexyl oct-3-en-2-yl ester
SpectraBase Compound ID ESx1ncPVoUQ
InChI InChI=1S/C24H44O4/c1-5-6-7-12-17-22(4)28-24(26)19-14-11-9-8-10-13-18-23(25)27-20-15-16-21(2)3/h12,17,21-22H,5-11,13-16,18-20H2,1-4H3/b17-12+
InChIKey DEEIJEDMIWYIAI-SFQUDFHCSA-N
Mol Weight 396.6 g/mol
Molecular Formula C24H44O4
Exact Mass 396.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KCgzkaSN95l
Name Sebacic acid, isohexyl oct-3-en-2-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.323959893 u
Formula C24H44O4
InChI InChI=1S/C24H44O4/c1-5-6-7-12-17-22(4)28-24(26)19-14-11-9-8-10-13-18-23(25)27-20-15-16-21(2)3/h12,17,21-22H,5-11,13-16,18-20H2,1-4H3/b17-12+
InChIKey DEEIJEDMIWYIAI-SFQUDFHCSA-N
Molecular Weight 396.612 g/mol
SMILES C(\C=C\CCCC)(OC(CCCCCCCCC(OCCCC(C)C)=O)=O)C