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trans-6,6,6-trifluoro-5-hydroxy-1-(4-chlorophenyl)-1-hexene-3-one
SpectraBase Compound ID C0qttVgGag4
InChI InChI=1S/C12H10ClF3O2/c13-9-4-1-8(2-5-9)3-6-10(17)7-11(18)12(14,15)16/h1-6,11,18H,7H2/b6-3+
InChIKey OHJRAVVERZXTHP-ZZXKWVIFSA-N
Mol Weight 278.66 g/mol
Molecular Formula C12H10ClF3O2
Exact Mass 278.032142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EmMjxRjoABb
Name trans-6,6,6-trifluoro-5-hydroxy-1-(4-chlorophenyl)-1-hexene-3-one
Alternate Name(s) (E)-1-(4-chlorophenyl)-6,6,6-trifluoro-5-hydroxyhex-1-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10ClF3O2
InChI InChI=1S/C12H10ClF3O2/c13-9-4-1-8(2-5-9)3-6-10(17)7-11(18)12(14,15)16/h1-6,11,18H,7H2/b6-3+
InChIKey OHJRAVVERZXTHP-ZZXKWVIFSA-N
Literature Reference DOI 10.1002/cjoc.20020201138
Molecular Weight 278.658 g/mol
SMILES OC(CC(\C=C\c1ccc(cc1)Cl)=O)C(F)(F)F
SPLASH splash10-014r-3940000000-8a7ab2293e1515e08f68
Source of Spectrum CJC-20-1387-9c
Wiley ID 1774828