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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

Fumaric acid, decyl 2,3,5-trichlorophenyl ester
SpectraBase Compound ID G5HDANgE1yj
InChI InChI=1S/C20H25Cl3O4/c1-2-3-4-5-6-7-8-9-12-26-18(24)10-11-19(25)27-17-14-15(21)13-16(22)20(17)23/h10-11,13-14H,2-9,12H2,1H3/b11-10+
InChIKey LWPBKWZRDHPSKM-ZHACJKMWSA-N
Mol Weight 435.78 g/mol
Molecular Formula C20H25Cl3O4
Exact Mass 434.081842 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 J7lcliYqZy0
Name Fumaric acid, decyl 2,3,5-trichlorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.081842381 u
Formula C20H25Cl3O4
InChI InChI=1S/C20H25Cl3O4/c1-2-3-4-5-6-7-8-9-12-26-18(24)10-11-19(25)27-17-14-15(21)13-16(22)20(17)23/h10-11,13-14H,2-9,12H2,1H3/b11-10+
InChIKey LWPBKWZRDHPSKM-ZHACJKMWSA-N
Molecular Weight 435.775 g/mol
SMILES C1=C(C=C(OC(\C=C\C(OCCCCCCCCCC)=O)=O)C(=C1Cl)Cl)Cl