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5-Carboxyethyl-1,1,1-trifluorohept-3-en-2,6-dione
SpectraBase Compound ID 401FLEjPBWk
InChI InChI=1S/C10H11F3O4/c1-3-17-9(16)7(6(2)14)4-5-8(15)10(11,12)13/h4-5,7H,3H2,1-2H3/b5-4+
InChIKey OZGVJBCVRCAIPF-SNAWJCMRSA-N
Mol Weight 252.19 g/mol
Molecular Formula C10H11F3O4
Exact Mass 252.060943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IRGfVMDJtGQ
Name 5-Carboxyethyl-1,1,1-trifluorohept-3-en-2,6-dione
Alternate Name(s) Ethyl (3E)-2-acetyl-6,6,6-trifluoro-5-oxo-3-hexenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11F3O4
InChI InChI=1S/C10H11F3O4/c1-3-17-9(16)7(6(2)14)4-5-8(15)10(11,12)13/h4-5,7H,3H2,1-2H3/b5-4+
InChIKey OZGVJBCVRCAIPF-SNAWJCMRSA-N
Molecular Weight 252.189 g/mol
SMILES C(\C=C\C(C(F)(F)F)=O)(C(=O)OCC)C(=O)C
SPLASH splash10-007x-6950000000-20f20c4f321febc5a90c
Source of Spectrum SO-0-766-3
Wiley ID 876548