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Sebacic acid, butyl tetradec-2-enyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, butyl tetradec-2-enyl ester
SpectraBase Compound ID CLXHgr4I4aR
InChI InChI=1S/C28H52O4/c1-3-5-7-8-9-10-11-12-13-16-19-22-26-32-28(30)24-21-18-15-14-17-20-23-27(29)31-25-6-4-2/h19,22H,3-18,20-21,23-26H2,1-2H3/b22-19+
InChIKey SSTYRVCNCYEKRD-ZBJSNUHESA-N
Mol Weight 452.7 g/mol
Molecular Formula C28H52O4
Exact Mass 452.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EcZlCP69Mhj
Name Sebacic acid, butyl tetradec-2-enyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.386560150 u
Formula C28H52O4
InChI InChI=1S/C28H52O4/c1-3-5-7-8-9-10-11-12-13-16-19-22-26-32-28(30)24-21-18-15-14-17-20-23-27(29)31-25-6-4-2/h19,22H,3-18,20-21,23-26H2,1-2H3/b22-19+
InChIKey SSTYRVCNCYEKRD-ZBJSNUHESA-N
Molecular Weight 452.720 g/mol
SMILES C(CCCCCC(OC\C=C\CCCCCCCCCCC)=O)CCC(OCCCC)=O