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

*Links on SpectraBase are not permalinks.

Fumaric acid, nonyl 2,3,5-trichlorophenyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, nonyl 2,3,5-trichlorophenyl ester
SpectraBase Compound ID LhaZDAchf1w
InChI InChI=1S/C19H23Cl3O4/c1-2-3-4-5-6-7-8-11-25-17(23)9-10-18(24)26-16-13-14(20)12-15(21)19(16)22/h9-10,12-13H,2-8,11H2,1H3/b10-9+
InChIKey WBRWKWLWCRLKMK-MDZDMXLPSA-N
Mol Weight 421.75 g/mol
Molecular Formula C19H23Cl3O4
Exact Mass 420.066192 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 Je8qNqfjLGu
Name Fumaric acid, nonyl 2,3,5-trichlorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.066192317 u
Formula C19H23Cl3O4
InChI InChI=1S/C19H23Cl3O4/c1-2-3-4-5-6-7-8-11-25-17(23)9-10-18(24)26-16-13-14(20)12-15(21)19(16)22/h9-10,12-13H,2-8,11H2,1H3/b10-9+
InChIKey WBRWKWLWCRLKMK-MDZDMXLPSA-N
Molecular Weight 421.748 g/mol
SMILES C1=C(C=C(OC(\C=C\C(OCCCCCCCCC)=O)=O)C(=C1Cl)Cl)Cl