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 |