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

*Links on SpectraBase are not permalinks.

Sebacic acid, 2,5-dichlorophenyl isobutyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,5-dichlorophenyl isobutyl ester
SpectraBase Compound ID ALTiaLHK4uX
InChI InChI=1S/C20H28Cl2O4/c1-15(2)14-25-19(23)9-7-5-3-4-6-8-10-20(24)26-18-13-16(21)11-12-17(18)22/h11-13,15H,3-10,14H2,1-2H3
InChIKey GUEYLGLKJCKYGB-UHFFFAOYSA-N
Mol Weight 403.35 g/mol
Molecular Formula C20H28Cl2O4
Exact Mass 402.136465 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 BNF0QSUGwjP
Name Sebacic acid, 2,5-dichlorophenyl isobutyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.136464778 u
Formula C20H28Cl2O4
InChI InChI=1S/C20H28Cl2O4/c1-15(2)14-25-19(23)9-7-5-3-4-6-8-10-20(24)26-18-13-16(21)11-12-17(18)22/h11-13,15H,3-10,14H2,1-2H3
InChIKey GUEYLGLKJCKYGB-UHFFFAOYSA-N
Molecular Weight 403.346 g/mol
SMILES C(C(OC1=C(C=CC(=C1)Cl)Cl)=O)CCCCCCCC(OCC(C)C)=O