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Pentanoic acid, 4-oxo-2-(trifluoromethyl)-, ethyl ester
SpectraBase Compound ID IGgvHjJUX7W
InChI InChI=1S/C8H11F3O3/c1-3-14-7(13)6(4-5(2)12)8(9,10)11/h6H,3-4H2,1-2H3
InChIKey ATYJPXZSFFZDJZ-UHFFFAOYSA-N
Mol Weight 212.17 g/mol
Molecular Formula C8H11F3O3
Exact Mass 212.066029 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IKP2ooMUGUe
Name Pentanoic acid, 4-oxo-2-(trifluoromethyl)-, ethyl ester
CAS Registry Number 126459-90-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11F3O3
InChI InChI=1S/C8H11F3O3/c1-3-14-7(13)6(4-5(2)12)8(9,10)11/h6H,3-4H2,1-2H3
InChIKey ATYJPXZSFFZDJZ-UHFFFAOYSA-N
Molecular Weight 212.168 g/mol
SMILES C(C(F)(F)F)(C(=O)OCC)CC(=O)C
SPLASH splash10-0296-8970000000-c18188a2fd291a39bef3
Source of Spectrum J-55-3386-5
Synonyms Ethyl 4-oxo-2-(trifluoromethyl)pentanoate Ethyl 2-(trifluoromethyl)-4-oxopentanoate
Wiley ID 1210825