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[2S,4S]-(+)-Methyl 2,5-Dimethyl-4-(p-toluenesulfonylamino)hextanoate
SpectraBase Compound ID KFQWZNgjXdd
InChI InChI=1S/C16H25NO4S/c1-11(2)15(10-13(4)16(18)21-5)17-22(19,20)14-8-6-12(3)7-9-14/h6-9,11,13,15,17H,10H2,1-5H3/t13-,15-/m0/s1
InChIKey ANHGCFCRDXJHDG-ZFWWWQNUSA-N
Mol Weight 327.44 g/mol
Molecular Formula C16H25NO4S
Exact Mass 327.150429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 75pu2obnahB
Name [2S,4S]-(+)-Methyl 2,5-Dimethyl-4-(p-toluenesulfonylamino)hextanoate
Alternate Name(s) (2S,4S)-2,5-dimethyl-4-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester methyl (2S,4S)-2,5-dimethyl-4-(p-tolylsulfonylamino)hexanoate methyl (2S,4S)-2,5-dimethyl-4-[(4-methylphenyl)sulfonylamino]hexanoate
Comments Less than 3 mono-isotopic peaks
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Formula C16H25NO4S
InChI InChI=1S/C16H25NO4S/c1-11(2)15(10-13(4)16(18)21-5)17-22(19,20)14-8-6-12(3)7-9-14/h6-9,11,13,15,17H,10H2,1-5H3/t13-,15-/m0/s1
InChIKey ANHGCFCRDXJHDG-ZFWWWQNUSA-N
Molecular Weight 327.439 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)[C@@](C[C@@](C(=O)OC)(C)[H])(C(C)C)[H]
SPLASH splash10-0a4i-0900000000-6f0de8a5b897658a546f
Source of Spectrum J-66-5806-5
Wiley ID 1535698