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Sebacic acid, di(oct-3-en-2-yl) ester

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Sebacic acid, di(oct-3-en-2-yl) ester
SpectraBase Compound ID CaI3Bnab3f0
InChI InChI=1S/C26H46O4/c1-5-7-9-15-19-23(3)29-25(27)21-17-13-11-12-14-18-22-26(28)30-24(4)20-16-10-8-6-2/h15-16,19-20,23-24H,5-14,17-18,21-22H2,1-4H3/b19-15+,20-16+
InChIKey FFWIRVWGVZSZHW-MXWIWYRXSA-N
Mol Weight 422.7 g/mol
Molecular Formula C26H46O4
Exact Mass 422.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dv5Ik7Ha1rx
Name Sebacic acid, di(oct-3-en-2-yl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.339609957 u
Formula C26H46O4
InChI InChI=1S/C26H46O4/c1-5-7-9-15-19-23(3)29-25(27)21-17-13-11-12-14-18-22-26(28)30-24(4)20-16-10-8-6-2/h15-16,19-20,23-24H,5-14,17-18,21-22H2,1-4H3/b19-15+,20-16+
InChIKey FFWIRVWGVZSZHW-MXWIWYRXSA-N
Molecular Weight 422.650 g/mol
SMILES C(\C=C\CCCC)(OC(CCCCCCCCC(OC(C)\C=C\CCCC)=O)=O)C