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Sebacic acid, octyl tetradec-2-enyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, octyl tetradec-2-enyl ester
SpectraBase Compound ID 5fkHSB24yl8
InChI InChI=1S/C32H60O4/c1-3-5-7-9-11-12-13-14-15-18-22-26-30-36-32(34)28-24-20-17-16-19-23-27-31(33)35-29-25-21-10-8-6-4-2/h22,26H,3-21,23-25,27-30H2,1-2H3/b26-22+
InChIKey FNOCAXWGIAARRP-XTCLZLMSSA-N
Mol Weight 508.8 g/mol
Molecular Formula C32H60O4
Exact Mass 508.44916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 355izsVgpQ0
Name Sebacic acid, octyl tetradec-2-enyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 508.449160408 u
Formula C32H60O4
InChI InChI=1S/C32H60O4/c1-3-5-7-9-11-12-13-14-15-18-22-26-30-36-32(34)28-24-20-17-16-19-23-27-31(33)35-29-25-21-10-8-6-4-2/h22,26H,3-21,23-25,27-30H2,1-2H3/b26-22+
InChIKey FNOCAXWGIAARRP-XTCLZLMSSA-N
Molecular Weight 508.828 g/mol
SMILES C(CCCCCC(OC\C=C\CCCCCCCCCCC)=O)CCC(OCCCCCCCC)=O