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

*Links on SpectraBase are not permalinks.

Sebacic acid, 2,3-dimethylphenyl undecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,3-dimethylphenyl undecyl ester
SpectraBase Compound ID H9ya9BjMiM9
InChI InChI=1S/C29H48O4/c1-4-5-6-7-8-9-12-15-18-24-32-28(30)22-16-13-10-11-14-17-23-29(31)33-27-21-19-20-25(2)26(27)3/h19-21H,4-18,22-24H2,1-3H3
InChIKey SURDMBAYSBQHLE-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 6yC7LfK2pm7
Name Sebacic acid, 2,3-dimethylphenyl 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/c1-4-5-6-7-8-9-12-15-18-24-32-28(30)22-16-13-10-11-14-17-23-29(31)33-27-21-19-20-25(2)26(27)3/h19-21H,4-18,22-24H2,1-3H3
InChIKey SURDMBAYSBQHLE-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C(CCCCC(OC1=C(C(C)=CC=C1)C)=O)CCCC(OCCCCCCCCCCC)=O