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(2S,4R)-2-methyl-4-(p-tolylsulfonylamino)pentanoic acid
SpectraBase Compound ID KWoppo3sewK
InChI InChI=1S/C13H19NO4S/c1-9-4-6-12(7-5-9)19(17,18)14-11(3)8-10(2)13(15)16/h4-7,10-11,14H,8H2,1-3H3,(H,15,16)/t10-,11+/m0/s1
InChIKey LUCGUBIRJCBFAE-WDEREUQCSA-N
Mol Weight 285.36 g/mol
Molecular Formula C13H19NO4S
Exact Mass 285.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HRjuypy38v2
Name (2S,4R)-2-methyl-4-(p-tolylsulfonylamino)pentanoic acid
Alternate Name(s) (2S,4R)-2-methyl-4-(tosylamino)valeric acid
Comments Less than 3 mono-isotopic peaks
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Formula C13H19NO4S
InChI InChI=1S/C13H19NO4S/c1-9-4-6-12(7-5-9)19(17,18)14-11(3)8-10(2)13(15)16/h4-7,10-11,14H,8H2,1-3H3,(H,15,16)/t10-,11+/m0/s1
InChIKey LUCGUBIRJCBFAE-WDEREUQCSA-N
Molecular Weight 285.358 g/mol
SMILES N([C@@](C[C@@](C(=O)O)(C)[H])(C)[H])S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-0a4i-0930000000-e32581152214610a8e79
Source of Spectrum J-66-5805-4
Wiley ID 1535707