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2,4-Octadienoic acid, 7-(1-ethoxyethoxy)-, 2,2,2-trichloroethyl ester, [R*,R*-(E,E)]-(.+-.)-
SpectraBase Compound ID I8rrY5dY2yT
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
Mol Weight 359.68 g/mol
Molecular Formula C14H21Cl3O4
Exact Mass 358.050542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B9ERRNuvdNu
Name 2,4-Octadienoic acid, 7-(1-ethoxyethoxy)-, 2,2,2-trichloroethyl ester, [R*,R*-(E,E)]-(.+-.)-
CAS Registry Number 79427-03-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
SPLASH splash10-006t-9100000000-8a846f6d78eaf6a1b3b6
Source of Spectrum H-64-1483-0
Synonyms (2',2',2'-trichloroethyl)ester of (2E,4E)-7-(1'-ethoxyethoxy)-2,4-octadienoic acid 2,2,2-trichloroethyl (2E,4E,7R)-7-{[(1R)-1-ethoxyethyl]oxy}-2,4-octadienoate
Wiley ID 1346782