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ETHYL-2,2-DIFLUORO-2-[(4-METHYLPHENYL)-THIO]-ACETATE
SpectraBase Compound ID I1H7NzaYa74
InChI InChI=1S/C11H12F2O2S/c1-3-15-10(14)11(12,13)16-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKey YDMCXAXLMOJLAP-UHFFFAOYSA-N
Mol Weight 246.27 g/mol
Molecular Formula C11H12F2O2S
Exact Mass 246.052607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Du3iKNNTtTh
Name 2,2-difluoro-2-(p-tolylthio)acetic acid ethyl ester
Alternate Name(s) 2,2-difluoro-2-[(4-methylphenyl)thio]acetic acid ethyl ester ethyl 2,2-bis(fluoranyl)-2-(4-methylphenyl)sulfanyl-ethanoate ethyl 2,2-difluoro-2-(4-methylphenyl)sulfanylacetate ethyl 2,2-difluoro-2-(p-tolylsulfanyl)acetate
Comments Less than 3 mono-isotopic peaks
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Formula C11H12F2O2S
InChI InChI=1S/C11H12F2O2S/c1-3-15-10(14)11(12,13)16-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKey YDMCXAXLMOJLAP-UHFFFAOYSA-N
Molecular Weight 246.272 g/mol
SMILES C(C(Sc1ccc(cc1)C)(F)F)(=O)OCC
SPLASH splash10-00dj-0890000000-4bfa3f4b5af44e30ded2
Source of Spectrum E2-49-177-6
Wiley ID 1555537