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beta-alanine, N-methyl-N-(phenylsulfonyl)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

beta-alanine, N-methyl-N-(phenylsulfonyl)-
SpectraBase Compound ID 5DoHeHYBVyV
InChI InChI=1S/C10H13NO4S/c1-11(8-7-10(12)13)16(14,15)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13)
InChIKey LFRXLESUXXFAIP-UHFFFAOYSA-N
Mol Weight 243.28 g/mol
Molecular Formula C10H13NO4S
Exact Mass 243.056529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5m14zSlh55G
Name 3-(Benzenesulfonyl-methyl-amino)-propionic acid
Alternate Name(s) 3-[benzenesulfonyl(methyl)amino]propanoic acid 3-[besyl(methyl)amino]propionic acid 3-[methyl(phenylsulfonyl)amino]propanoic acid
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Formula C10H13NO4S
InChI InChI=1S/C10H13NO4S/c1-11(8-7-10(12)13)16(14,15)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13)
InChIKey LFRXLESUXXFAIP-UHFFFAOYSA-N
Molecular Weight 243.277 g/mol
SMILES OC(CCN(S(=O)(=O)c1ccccc1)C)=O
SPLASH splash10-0fbc-9500000000-ea7484764ad94239d4b6
Wiley ID 1464406