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(2R)-2-(tert-butoxycarbonylamino)-3-(2-cyanoethylthio)propionic acid methyl ester
SpectraBase Compound ID EhzkkZhZUuG
InChI InChI=1S/C12H20N2O4S/c1-12(2,3)18-11(16)14-9(10(15)17-4)8-19-7-5-6-13/h9H,5,7-8H2,1-4H3,(H,14,16)/t9-/m0/s1
InChIKey YYTPYIWJXNYWGM-VIFPVBQESA-N
Mol Weight 288.36 g/mol
Molecular Formula C12H20N2O4S
Exact Mass 288.114378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DWwJ6zCZr7Q
Name (2R)-2-(tert-butoxycarbonylamino)-3-(2-cyanoethylthio)propionic acid methyl ester
Alternate Name(s) (2R)-3-(2-cyanoethylthio)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester Methyl (2R)-3-(2-cyanoethylsulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CAS Registry Number 82835-13-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20N2O4S
InChI InChI=1S/C12H20N2O4S/c1-12(2,3)18-11(16)14-9(10(15)17-4)8-19-7-5-6-13/h9H,5,7-8H2,1-4H3,(H,14,16)/t9-/m0/s1
InChIKey YYTPYIWJXNYWGM-VIFPVBQESA-N
Molecular Weight 288.362 g/mol
SMILES N([C@](C(=O)OC)(CSCCC#N)[H])C(OC(C)(C)C)=O
SPLASH splash10-05o9-9220000000-c6113c95e78b8d35de9c
Source of Spectrum F-70-1990-2
Wiley ID 1596481