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

*Links on SpectraBase are not permalinks.

Sebacic acid, 4-chlorophenethyl nonyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 4-chlorophenethyl nonyl ester
SpectraBase Compound ID G6XXdPzEP5b
InChI InChI=1S/C27H43ClO4/c1-2-3-4-5-8-11-14-22-31-26(29)15-12-9-6-7-10-13-16-27(30)32-23-21-24-17-19-25(28)20-18-24/h17-20H,2-16,21-23H2,1H3
InChIKey UGUBGOXPLJQGFD-UHFFFAOYSA-N
Mol Weight 467.1 g/mol
Molecular Formula C27H43ClO4
Exact Mass 466.284988 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 7XYs0v7ZcwJ
Name Sebacic acid, 4-chlorophenethyl nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.284987561 u
Formula C27H43ClO4
InChI InChI=1S/C27H43ClO4/c1-2-3-4-5-8-11-14-22-31-26(29)15-12-9-6-7-10-13-16-27(30)32-23-21-24-17-19-25(28)20-18-24/h17-20H,2-16,21-23H2,1H3
InChIKey UGUBGOXPLJQGFD-UHFFFAOYSA-N
Molecular Weight 467.090 g/mol
SMILES C(CCCCCCCC(OCCC1=CC=C(C=C1)Cl)=O)C(OCCCCCCCCC)=O