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ETHYL-2,2-DIFLUORO-2-[(4-METHOXYBENZYL)-THIO]-ACETATE
SpectraBase Compound ID HyfnlutZzfr
InChI InChI=1S/C12H14F2O3S/c1-3-17-11(15)12(13,14)18-8-9-4-6-10(16-2)7-5-9/h4-7H,3,8H2,1-2H3
InChIKey PABJEJBLLAFEGY-UHFFFAOYSA-N
Mol Weight 276.3 g/mol
Molecular Formula C12H14F2O3S
Exact Mass 276.063172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ALGN60kv7q6
Name 2,2-difluoro-2-(p-anisylthio)acetic acid ethyl ester
Alternate Name(s) 2,2-difluoro-2-[(4-methoxyphenyl)methylthio]acetic acid ethyl ester ethyl 2,2-bis(fluoranyl)-2-[(4-methoxyphenyl)methylsulfanyl]ethanoate ethyl 2,2-difluoro-2-[(4-methoxyphenyl)methylsulfanyl]acetate
Comments Less than 3 mono-isotopic peaks
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Formula C12H14F2O3S
InChI InChI=1S/C12H14F2O3S/c1-3-17-11(15)12(13,14)18-8-9-4-6-10(16-2)7-5-9/h4-7H,3,8H2,1-2H3
InChIKey PABJEJBLLAFEGY-UHFFFAOYSA-N
Molecular Weight 276.298 g/mol
SMILES C(C(SCc1ccc(cc1)OC)(F)F)(=O)OCC
SPLASH splash10-00di-0900000000-f328f34393ff3c3ece64
Source of Spectrum E2-49-177-6
Wiley ID 1555535