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

*Links on SpectraBase are not permalinks.

Sebacic acid, decyl 3-methylphenyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, decyl 3-methylphenyl ester
SpectraBase Compound ID 1XZZVyaomvp
InChI InChI=1S/C27H44O4/c1-3-4-5-6-7-10-13-16-22-30-26(28)20-14-11-8-9-12-15-21-27(29)31-25-19-17-18-24(2)23-25/h17-19,23H,3-16,20-22H2,1-2H3
InChIKey QWKAEQBTSGNTRV-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 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 KySBx9BCtiR
Name Sebacic acid, decyl 3-methylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.323959893 u
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-3-4-5-6-7-10-13-16-22-30-26(28)20-14-11-8-9-12-15-21-27(29)31-25-19-17-18-24(2)23-25/h17-19,23H,3-16,20-22H2,1-2H3
InChIKey QWKAEQBTSGNTRV-UHFFFAOYSA-N
Molecular Weight 432.645 g/mol
SMILES C(CCCCCC(OC1=CC(C)=CC=C1)=O)CCC(OCCCCCCCCCC)=O