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(2S)-2-[(4-cyanophenyl)sulfonylamino]-3-methyl-butyric acid methyl ester
SpectraBase Compound ID Crnlzoy8w6C
InChI InChI=1S/C13H16N2O4S/c1-9(2)12(13(16)19-3)15-20(17,18)11-6-4-10(8-14)5-7-11/h4-7,9,12,15H,1-3H3/t12-/m0/s1
InChIKey CSTSTMIWLITWFZ-LBPRGKRZSA-N
Mol Weight 296.34 g/mol
Molecular Formula C13H16N2O4S
Exact Mass 296.083078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J9CvnmRkXJo
Name (2S)-2-[(4-cyanophenyl)sulfonylamino]-3-methyl-butyric acid methyl ester
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Formula C13H16N2O4S
InChI InChI=1S/C13H16N2O4S/c1-9(2)12(13(16)19-3)15-20(17,18)11-6-4-10(8-14)5-7-11/h4-7,9,12,15H,1-3H3/t12-/m0/s1
InChIKey CSTSTMIWLITWFZ-LBPRGKRZSA-N
Molecular Weight 296.341 g/mol
SMILES N(S(c1ccc(C#N)cc1)(=O)=O)[C@](C(=O)OC)(C(C)C)[H]
SPLASH splash10-0f79-7980000000-af7f3905f5c4163a73d6
Source of Spectrum F-54-15792-4
Synonyms (2S)-2-[(4-cyanophenyl)sulfonylamino]-3-methylbutanoic acid methyl ester Methyl (2S)-2-[(4-cyanophenyl)sulfonylamino]-3-methylbutanoate
Wiley ID 804299