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

View entire compound with spectra: 1 NMR

Sebacic acid, oct-3-en-2-yl octyl ester
SpectraBase Compound ID 8WkG187s6I7
InChI InChI=1S/C26H48O4/c1-4-6-8-10-15-19-23-29-25(27)21-17-13-11-12-14-18-22-26(28)30-24(3)20-16-9-7-5-2/h16,20,24H,4-15,17-19,21-23H2,1-3H3/b20-16+
InChIKey IRTYLJFXCHTGEJ-CAPFRKAQSA-N
Mol Weight 424.7 g/mol
Molecular Formula C26H48O4
Exact Mass 424.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K2XqAGhXGfB
Name Sebacic acid, oct-3-en-2-yl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.355260022 u
Formula C26H48O4
InChI InChI=1S/C26H48O4/c1-4-6-8-10-15-19-23-29-25(27)21-17-13-11-12-14-18-22-26(28)30-24(3)20-16-9-7-5-2/h16,20,24H,4-15,17-19,21-23H2,1-3H3/b20-16+
InChIKey IRTYLJFXCHTGEJ-CAPFRKAQSA-N
Molecular Weight 424.666 g/mol
SMILES C(\C=C\CCCC)(OC(CCCCCCCCC(OCCCCCCCC)=O)=O)C