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4-(4-Ethylphenyl)-1,1,1-trifluorobut-(E)-3-en-2-one
SpectraBase Compound ID 5k4W1nl9Zkd
InChI InChI=1S/C12H11F3O/c1-2-9-3-5-10(6-4-9)7-8-11(16)12(13,14)15/h3-8H,2H2,1H3/b8-7+
InChIKey ICDQDLUNFCYMBS-BQYQJAHWSA-N
Mol Weight 228.21 g/mol
Molecular Formula C12H11F3O
Exact Mass 228.076199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 37pLKmO7BMo
Name 4-(4-Ethylphenyl)-1,1,1-trifluorobut-(E)-3-en-2-one
Alternate Name(s) (E)-4-(4-ethylphenyl)-1,1,1-trifluorobut-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11F3O
InChI InChI=1S/C12H11F3O/c1-2-9-3-5-10(6-4-9)7-8-11(16)12(13,14)15/h3-8H,2H2,1H3/b8-7+
InChIKey ICDQDLUNFCYMBS-BQYQJAHWSA-N
Literature Reference DOI 10.1002/adsc.200900041
Molecular Weight 228.214 g/mol
SMILES C(C(\C=C\c1ccc(cc1)CC)=O)(F)(F)F
SPLASH splash10-05mk-0900000000-79fb8bae681b8b12205c
Source of Spectrum ASC-351-1685/SM19-5f
Wiley ID 1763222