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trans-6,6,6-trifluoro-5-hydroxy-1-(4-nitrophenyl)-1-hexene-3-one
SpectraBase Compound ID EChTHZIdVSf
InChI InChI=1S/C12H10F3NO4/c13-12(14,15)11(18)7-10(17)6-3-8-1-4-9(5-2-8)16(19)20/h1-6,11,18H,7H2/b6-3+
InChIKey KKKCLHNRUSWGIO-ZZXKWVIFSA-N
Mol Weight 289.21 g/mol
Molecular Formula C12H10F3NO4
Exact Mass 289.056192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FIqLSszxO42
Name trans-6,6,6-trifluoro-5-hydroxy-1-(4-nitrophenyl)-1-hexene-3-one
Alternate Name(s) (E)-6,6,6-trifluoro-5-hydroxy-1-(4-nitrophenyl)hex-1-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10F3NO4
InChI InChI=1S/C12H10F3NO4/c13-12(14,15)11(18)7-10(17)6-3-8-1-4-9(5-2-8)16(19)20/h1-6,11,18H,7H2/b6-3+
InChIKey KKKCLHNRUSWGIO-ZZXKWVIFSA-N
Literature Reference DOI 10.1002/cjoc.20020201138
Molecular Weight 289.210 g/mol
SMILES OC(CC(\C=C\c1ccc(cc1)[N+](=O)[O-])=O)C(F)(F)F
SPLASH splash10-004i-1910000000-553cf9b3f071cd9c7117
Source of Spectrum CJC-20-1387-9b
Wiley ID 1774827