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(Z)-1,1-Difluoro-3-(toyloxy)hept-3-en-2-one
SpectraBase Compound ID 3wJCETbP7EA
InChI InChI=1S/C14H16F2O4S/c1-3-4-5-12(13(17)14(15)16)20-21(18,19)11-8-6-10(2)7-9-11/h5-9,14H,3-4H2,1-2H3/b12-5-
InChIKey RLVZZTYEWICHQN-XGICHPGQSA-N
Mol Weight 318.33 g/mol
Molecular Formula C14H16F2O4S
Exact Mass 318.073736 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8IybeNRiwsD
Name (Z)-1,1-Difluoro-3-(toyloxy)hept-3-en-2-one
Alternate Name(s) (Z)-1,1-Difluoro-3-(p-toluenesulfonyloxy)hept-3-en-2-one Toluene-4-sulfonic acid (Z)-1-(2,2-difluoro-acetyl)-pent-1-enyl ester
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Formula C14H16F2O4S
InChI InChI=1S/C14H16F2O4S/c1-3-4-5-12(13(17)14(15)16)20-21(18,19)11-8-6-10(2)7-9-11/h5-9,14H,3-4H2,1-2H3/b12-5-
InChIKey RLVZZTYEWICHQN-XGICHPGQSA-N
Molecular Weight 318.335 g/mol
SMILES C(\C(OS(c1ccc(cc1)C)(=O)=O)=C\CCC)(C(F)F)=O
SPLASH splash10-02ta-0905000000-140de5cd2eaa4f0c1267
Source of Spectrum KC-0-2421-6
Wiley ID 826014