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

*Links on SpectraBase are not permalinks.

Sebacic acid, 3-propylphenyl undecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 3-propylphenyl undecyl ester
SpectraBase Compound ID Fl7wDlYdun3
InChI InChI=1S/C30H50O4/c1-3-5-6-7-8-9-12-15-20-26-33-29(31)24-16-13-10-11-14-17-25-30(32)34-28-23-19-18-22-27(28)21-4-2/h18-19,22-23H,3-17,20-21,24-26H2,1-2H3
InChIKey SLIZDDGNMYGHKM-UHFFFAOYSA-N
Mol Weight 474.7 g/mol
Molecular Formula C30H50O4
Exact Mass 474.37091 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 5jFPhrEa9iM
Name Sebacic acid, 3-propylphenyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.370910086 u
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-3-5-6-7-8-9-12-15-20-26-33-29(31)24-16-13-10-11-14-17-25-30(32)34-28-23-19-18-22-27(28)21-4-2/h18-19,22-23H,3-17,20-21,24-26H2,1-2H3
InChIKey SLIZDDGNMYGHKM-UHFFFAOYSA-N
Molecular Weight 474.726 g/mol
SMILES C(CCCCCCCCC(OCCCCCCCCCCC)=O)(OC=1C(CCC)=CC=CC1)=O