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2-(Benzylsulfanyl-fluoro-methylene)-malonic acid dimethyl ester
SpectraBase Compound ID DmddxpTEmbF
InChI InChI=1S/C13H13FO4S/c1-17-12(15)10(13(16)18-2)11(14)19-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey VJBDPSHRBZXQBU-UHFFFAOYSA-N
Mol Weight 284.3 g/mol
Molecular Formula C13H13FO4S
Exact Mass 284.051858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DoNbQpra6VU
Name 2-(Benzylsulfanyl-fluoro-methylene)-malonic acid dimethyl ester
Alternate Name(s) 2-[(benzylthio)-fluoro-methylene]malonic acid dimethyl ester 2-[fluoro-(phenylmethylthio)methylidene]propanedioic acid dimethyl ester Dimethyl 2-[(benzylsulfanyl)(fluoro)methylene]malonate Dimethyl 2-[benzylsulfanyl(fluoro)methylene]propanedioate Dimethyl 2-[benzylsulfanyl(fluoro)methylidene]propanedioate Dimethyl 2-[fluoranyl-(phenylmethylsulfanyl)methylidene]propanedioate
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Formula C13H13FO4S
InChI InChI=1S/C13H13FO4S/c1-17-12(15)10(13(16)18-2)11(14)19-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey VJBDPSHRBZXQBU-UHFFFAOYSA-N
Molecular Weight 284.301 g/mol
SMILES C(F)(SCc1ccccc1)=C(C(=O)OC)C(=O)OC
SPLASH splash10-0006-9000000000-501aa936547421b483fc
Wiley ID 1463074