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Sebacic acid, di(dec-4-enyl) ester

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Sebacic acid, di(dec-4-enyl) ester
SpectraBase Compound ID 3Kjn3aPBe72
InChI InChI=1S/C30H54O4/c1-3-5-7-9-11-15-19-23-27-33-29(31)25-21-17-13-14-18-22-26-30(32)34-28-24-20-16-12-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-28H2,1-2H3/b15-11+,16-12+
InChIKey YPNYPUMDWZCYAW-JOBJLJCHSA-N
Mol Weight 478.8 g/mol
Molecular Formula C30H54O4
Exact Mass 478.40221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FqTErZaLkD6
Name Sebacic acid, di(dec-4-enyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 478.402210215 u
Formula C30H54O4
InChI InChI=1S/C30H54O4/c1-3-5-7-9-11-15-19-23-27-33-29(31)25-21-17-13-14-18-22-26-30(32)34-28-24-20-16-12-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-28H2,1-2H3/b15-11+,16-12+
InChIKey YPNYPUMDWZCYAW-JOBJLJCHSA-N
Molecular Weight 478.758 g/mol
SMILES C(\C=C\CCCCC)CCOC(CCCCCCCCC(OCCC\C=C\CCCCC)=O)=O