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5-Hexenoic acid, 4-oxo-2-(trifluoromethyl)-, ethyl ester
SpectraBase Compound ID 74kvv1wdMjq
InChI InChI=1S/C9H11F3O3/c1-3-6(13)5-7(9(10,11)12)8(14)15-4-2/h3,7H,1,4-5H2,2H3
InChIKey BWRWVDGWESJSDJ-UHFFFAOYSA-N
Mol Weight 224.18 g/mol
Molecular Formula C9H11F3O3
Exact Mass 224.066029 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E29Tlsc7RJo
Name 5-Hexenoic acid, 4-oxo-2-(trifluoromethyl)-, ethyl ester
Alternate Name(s) Ethyl 2-(trifluoromethyl)-4-oxohex-50enoate Ethyl 4-oxo-2-(trifluoromethyl)-5-hexenoate
CAS Registry Number 126459-91-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11F3O3
InChI InChI=1S/C9H11F3O3/c1-3-6(13)5-7(9(10,11)12)8(14)15-4-2/h3,7H,1,4-5H2,2H3
InChIKey BWRWVDGWESJSDJ-UHFFFAOYSA-N
Molecular Weight 224.179 g/mol
SMILES C(C(F)(F)F)(C(=O)OCC)CC(C=C)=O
SPLASH splash10-003r-0940000000-1ede53cec2125a913c7e
Source of Spectrum J-55-3386-5
Wiley ID 1224514