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

*Links on SpectraBase are not permalinks.
Fumaric acid, pentadecyl 2,4,6-trichlorophenyl ester
SpectraBase Compound ID LbcNJHwio4r
InChI InChI=1S/C25H35Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-31-23(29)15-16-24(30)32-25-21(27)18-20(26)19-22(25)28/h15-16,18-19H,2-14,17H2,1H3/b16-15+
InChIKey YGMVWIAHCKPRDU-FOCLMDBBSA-N
Mol Weight 505.9 g/mol
Molecular Formula C25H35Cl3O4
Exact Mass 504.160093 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 6ptb5wWLqbl
Name Fumaric acid, pentadecyl 2,4,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 504.160092703 u
Formula C25H35Cl3O4
InChI InChI=1S/C25H35Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-31-23(29)15-16-24(30)32-25-21(27)18-20(26)19-22(25)28/h15-16,18-19H,2-14,17H2,1H3/b16-15+
InChIKey YGMVWIAHCKPRDU-FOCLMDBBSA-N
Molecular Weight 505.910 g/mol
SMILES C(\C=C\C(OCCCCCCCCCCCCCCC)=O)(OC1=C(C=C(C=C1Cl)Cl)Cl)=O