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(Z)-1,1,1-Trifluoro-3-(toyloxy)hept-3-en-2-one
SpectraBase Compound ID K2KM6d0RU5z
InChI InChI=1S/C14H15F3O4S/c1-3-4-5-12(13(18)14(15,16)17)21-22(19,20)11-8-6-10(2)7-9-11/h5-9H,3-4H2,1-2H3/b12-5-
InChIKey GIIIQOXERUXTBG-XGICHPGQSA-N
Mol Weight 336.33 g/mol
Molecular Formula C14H15F3O4S
Exact Mass 336.064315 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C25hqlpzANF
Name (Z)-1,1,1-Trifluoro-3-(toyloxy)hept-3-en-2-one
Alternate Name(s) (Z)-1,1,1-Trifluoro-3-(p-toluenesulfonyloxy)hept-3-en-2-one Toluene-4-sulfonic acid (Z)-1-(2,2,2-trifluoro-acetyl)-pent-1-enyl ester 4-Methylbenzenesulfonic acid [(Z)-1,1,1-trifluoro-2-oxohept-3-en-3-yl] ester [(Z)-1,1,1-trifluoro-2-oxohept-3-en-3-yl] 4-methylbenzenesulfonate [(Z)-1-(2,2,2-trifluoroacetyl)pent-1-enyl] 4-methylbenzenesulfonate [(Z)-1,1,1-tris(fluoranyl)-2-oxidanylidene-hept-3-en-3-yl] 4-methylbenzenesulfonate
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Formula C14H15F3O4S
InChI InChI=1S/C14H15F3O4S/c1-3-4-5-12(13(18)14(15,16)17)21-22(19,20)11-8-6-10(2)7-9-11/h5-9H,3-4H2,1-2H3/b12-5-
InChIKey GIIIQOXERUXTBG-XGICHPGQSA-N
Molecular Weight 336.325 g/mol
SMILES C(\C(OS(c1ccc(cc1)C)(=O)=O)=C\CCC)(C(F)(F)F)=O
SPLASH splash10-000i-0937000000-82073c4fb33e33e9933d
Source of Spectrum KC-0-2422-7
Wiley ID 826008