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

*Links on SpectraBase are not permalinks.

Sebacic acid, 4-chloro-2-methylphenyl hexyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 4-chloro-2-methylphenyl hexyl ester
SpectraBase Compound ID 8vXCg5490Y6
InChI InChI=1S/C23H35ClO4/c1-3-4-5-12-17-27-22(25)13-10-8-6-7-9-11-14-23(26)28-21-16-15-20(24)18-19(21)2/h15-16,18H,3-14,17H2,1-2H3
InChIKey JJKZLGOTGBZXJR-UHFFFAOYSA-N
Mol Weight 411.0 g/mol
Molecular Formula C23H35ClO4
Exact Mass 410.222387 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 GS04xPZDAV8
Name Sebacic acid, 4-chloro-2-methylphenyl hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.222387303 u
Formula C23H35ClO4
InChI InChI=1S/C23H35ClO4/c1-3-4-5-12-17-27-22(25)13-10-8-6-7-9-11-14-23(26)28-21-16-15-20(24)18-19(21)2/h15-16,18H,3-14,17H2,1-2H3
InChIKey JJKZLGOTGBZXJR-UHFFFAOYSA-N
Molecular Weight 410.982 g/mol
SMILES C(C(OC=1C(C)=CC(=CC1)Cl)=O)CCCCCCCC(OCCCCCC)=O