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(2S)-2-(tert-butoxycarbonylamino)-3-cyano-propionic acid benzyl ester
SpectraBase Compound ID gW06MTyfRd
InChI InChI=1S/C16H20N2O4/c1-16(2,3)22-15(20)18-13(9-10-17)14(19)21-11-12-7-5-4-6-8-12/h4-8,13H,9,11H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKey WKUAXNOREZLBIC-ZDUSSCGKSA-N
Mol Weight 304.35 g/mol
Molecular Formula C16H20N2O4
Exact Mass 304.142307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GMLArR6kfTf
Name (2S)-2-(tert-butoxycarbonylamino)-3-cyano-propionic acid benzyl ester
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Formula C16H20N2O4
InChI InChI=1S/C16H20N2O4/c1-16(2,3)22-15(20)18-13(9-10-17)14(19)21-11-12-7-5-4-6-8-12/h4-8,13H,9,11H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKey WKUAXNOREZLBIC-ZDUSSCGKSA-N
Molecular Weight 304.346 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](C(OCc1ccccc1)=O)(CC#N)[H]
SPLASH splash10-0002-0090000000-568ba32eac577b70f639
Source of Spectrum J-60-2215-19
Synonyms (2S)-3-cyano-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (phenylmethyl) ester (phenylmethyl) (2S)-3-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate benzyl (2S)-3-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Wiley ID 1306361