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METHYL-(S)-2-BENZYLOXYCARBONYLAMINO-3-METHYLSULFONYLOXYPROPANOATE
SpectraBase Compound ID HXWNT1kxtlL
InChI InChI=1S/C13H17NO7S/c1-19-12(15)11(9-21-22(2,17)18)14-13(16)20-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,14,16)/t11-/m1/s1
InChIKey IFWBKPCDQOZRDI-LLVKDONJSA-N
Mol Weight 331.34 g/mol
Molecular Formula C13H17NO7S
Exact Mass 331.072573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Hdj9twSga
Name (2S)-2-(benzyloxycarbonylamino)-3-methylsulfonyloxy-propionic acid methyl ester
Alternate Name(s) (2S)-3-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester Methyl (2S)-3-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)propanoate (2R)-3-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester Methyl (2R)-2-(benzyloxycarbonylamino)-3-methylsulfonyloxy-propanoate Methyl (2R)-3-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)propanoate
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Formula C13H17NO7S
InChI InChI=1S/C13H17NO7S/c1-19-12(15)11(9-21-22(2,17)18)14-13(16)20-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,14,16)/t11-/m1/s1
InChIKey IFWBKPCDQOZRDI-LLVKDONJSA-N
Molecular Weight 331.339 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@](COS(=O)(=O)C)(C(=O)OC)[H]
SPLASH splash10-004l-9300000000-27b79834fbfc79853750
Source of Spectrum KC-0-2184-27
Wiley ID 822928