For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Sebacic acid, but-2-enyl tetradecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, but-2-enyl tetradecyl ester
SpectraBase Compound ID 3fr7V6S58Fy
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/h4,6H,3,5,7-26H2,1-2H3/b6-4+
InChIKey HCGJHCIMXCJJTL-GQCTYLIASA-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HUyhOOh76Dx
Name Sebacic acid, but-2-enyl tetradecyl 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/h4,6H,3,5,7-26H2,1-2H3/b6-4+
InChIKey HCGJHCIMXCJJTL-GQCTYLIASA-N
Molecular Weight 452.720 g/mol
SMILES C(CCCCCCCCC(OC\C=C\C)=O)(OCCCCCCCCCCCCCC)=O