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4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-2-fluoranyl-benzoic acid
SpectraBase Compound ID 8zMVDKwnA7G
InChI InChI=1S/C12H15ClFNO5S/c1-21(18,19)20-7-6-15(5-4-13)9-2-3-10(12(16)17)11(14)8-9/h2-3,8H,4-7H2,1H3,(H,16,17)
InChIKey BSSBCMNBYUEKOB-UHFFFAOYSA-N
Mol Weight 339.77 g/mol
Molecular Formula C12H15ClFNO5S
Exact Mass 339.03435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HxGwEdR673h
Name 4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-2-fluoranyl-benzoic acid
Alternate Name(s) 4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-2-fluorobenzoic acid
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Formula C12H15ClFNO5S
InChI InChI=1S/C12H15ClFNO5S/c1-21(18,19)20-7-6-15(5-4-13)9-2-3-10(12(16)17)11(14)8-9/h2-3,8H,4-7H2,1H3,(H,16,17)
InChIKey BSSBCMNBYUEKOB-UHFFFAOYSA-N
Molecular Weight 339.765 g/mol
SMILES OC(c1c(cc(cc1)N(CCOS(=O)(=O)C)CCCl)F)=O
SPLASH splash10-001l-0092000000-536fdfd0f41429a052d7
Source of Spectrum E1-37-2368-11
Wiley ID 1575149