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N-p-Toluenesulfonylimino-3,3'-dipropionic acid
SpectraBase Compound ID D5R0iE9OzgT
InChI InChI=1S/C13H17NO6S/c1-10-2-4-11(5-3-10)21(19,20)14(8-6-12(15)16)9-7-13(17)18/h2-5H,6-9H2,1H3,(H,15,16)(H,17,18)
InChIKey LBANXBGLPMAEBA-UHFFFAOYSA-N
Mol Weight 315.34 g/mol
Molecular Formula C13H17NO6S
Exact Mass 315.077658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ZvfXkZlN7X
Name 3-[2-carboxyethyl(p-tolylsulfonyl)amino]propanoic acid
CAS Registry Number 5446-58-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO6S
InChI InChI=1S/C13H17NO6S/c1-10-2-4-11(5-3-10)21(19,20)14(8-6-12(15)16)9-7-13(17)18/h2-5H,6-9H2,1H3,(H,15,16)(H,17,18)
InChIKey LBANXBGLPMAEBA-UHFFFAOYSA-N
Molecular Weight 315.340 g/mol
SMILES OC(CCN(CCC(=O)O)S(=O)(=O)c1ccc(C)cc1)=O
SPLASH splash10-01ox-6910000000-fb27008d28e4c51928bc
Source of Spectrum F-43-1911-7
Synonyms 3-[2-carboxyethyl(tosyl)amino]propionic acid 3-[2-carboxyethyl-(4-methylphenyl)sulfonylamino]propanoic acid EINECS 226-660-1
Wiley ID 1315795