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4-(N-Benzenesulfonyl-N-methylamino)-2-(methylthio)butanoic acid
SpectraBase Compound ID DWwP00QNdaP
InChI InChI=1S/C12H17NO4S2/c1-13(9-8-11(18-2)12(14)15)19(16,17)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,14,15)
InChIKey WJRFZCVLGJWPPQ-UHFFFAOYSA-N
Mol Weight 303.39 g/mol
Molecular Formula C12H17NO4S2
Exact Mass 303.0599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZoAZAf9ojh
Name 4-(N-Benzenesulfonyl-N-methylamino)-2-(methylthio)butanoic acid
Alternate Name(s) 4-[methyl(phenylsulfonyl)amino]-2-(methylsulfanyl)butanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO4S2
InChI InChI=1S/C12H17NO4S2/c1-13(9-8-11(18-2)12(14)15)19(16,17)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,14,15)
InChIKey WJRFZCVLGJWPPQ-UHFFFAOYSA-N
Molecular Weight 303.391 g/mol
SMILES OC(C(CCN(S(=O)(=O)c1ccccc1)C)SC)=O
SPLASH splash10-002f-9400000000-3b2d90d394141193b1b7
Source of Spectrum QC-8-2443-7
Wiley ID 870028