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

*Links on SpectraBase are not permalinks.

Sebacic acid, 4-methylbenzyl undecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 4-methylbenzyl undecyl ester
SpectraBase Compound ID 7863lx2FYRS
InChI InChI=1S/C29H48O4/c1-3-4-5-6-7-8-11-14-17-24-32-28(30)18-15-12-9-10-13-16-19-29(31)33-25-27-22-20-26(2)21-23-27/h20-23H,3-19,24-25H2,1-2H3
InChIKey RDAPWJBCBDVHCI-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C29H48O4
Exact Mass 460.35526 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 9DtVCXLlAqC
Name Sebacic acid, 4-methylbenzyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-3-4-5-6-7-8-11-14-17-24-32-28(30)18-15-12-9-10-13-16-19-29(31)33-25-27-22-20-26(2)21-23-27/h20-23H,3-19,24-25H2,1-2H3
InChIKey RDAPWJBCBDVHCI-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C(CCCCCCC(OCCCCCCCCCCC)=O)CC(OCC=1C=CC(=CC1)C)=O