| SpectraBase Spectrum ID |
B3wTESjO7zk |
| Name |
2,4-Octadienoic acid, 7-(1-ethoxyethoxy)-, 2,2,2-trichloroethyl ester, [R*,R*-(E,E)]-(.+-.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.050542252 u |
| Formula |
C14H21Cl3O4 |
| InChI |
InChI=1S/C14H21Cl3O4/c1-4-19-12(3)21-11(2)8-6-5-7-9-13(18)20-10-14(15,16)17/h5-7,9,11-12H,4,8,10H2,1-3H3/b6-5+,9-7+/t11-,12-/m1/s1 |
| InChIKey |
SYWXOTSNQBYPAP-IGAOJYBDSA-N |
| Molecular Weight |
359.677 g/mol |
| SMILES |
C(COC(\C=C\C=C\C[C@](O[C@@](OCC)(C)[H])(C)[H])=O)(Cl)(Cl)Cl |
![2,4-Octadienoic acid, 7-(1-ethoxyethoxy)-, 2,2,2-trichloroethyl ester, [R*,R*-(E,E)]-(.+-.)-](/api/spectrum/B3wTESjO7zk/structure.png?h=300&w=458 "2,4-Octadienoic acid, 7-(1-ethoxyethoxy)-, 2,2,2-trichloroethyl ester, [R*,R*-(E,E)]-(.+-.)-")
