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

*Links on SpectraBase are not permalinks.

Sebacic acid, 4-chloro-3-methylphenyl nonyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 4-chloro-3-methylphenyl nonyl ester
SpectraBase Compound ID 8JdfmDQ5TzO
InChI InChI=1S/C26H41ClO4/c1-3-4-5-6-9-12-15-20-30-25(28)16-13-10-7-8-11-14-17-26(29)31-23-18-19-24(27)22(2)21-23/h18-19,21H,3-17,20H2,1-2H3
InChIKey WRRQPDAXIXTCSF-UHFFFAOYSA-N
Mol Weight 453.1 g/mol
Molecular Formula C26H41ClO4
Exact Mass 452.269337 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 CBHiGZtuhJl
Name Sebacic acid, 4-chloro-3-methylphenyl nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.269337496 u
Formula C26H41ClO4
InChI InChI=1S/C26H41ClO4/c1-3-4-5-6-9-12-15-20-30-25(28)16-13-10-7-8-11-14-17-26(29)31-23-18-19-24(27)22(2)21-23/h18-19,21H,3-17,20H2,1-2H3
InChIKey WRRQPDAXIXTCSF-UHFFFAOYSA-N
Molecular Weight 453.063 g/mol
SMILES C(CCCCCCC(OC1=CC(C)=C(C=C1)Cl)=O)CC(OCCCCCCCCC)=O