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(2S)-2-(tert-butoxycarbonylamino)-4-keto-4-(4-nitrophenyl)butyric acid methyl ester
SpectraBase Compound ID 38e1RHBDNMi
InChI InChI=1S/C16H20N2O7/c1-16(2,3)25-15(21)17-12(14(20)24-4)9-13(19)10-5-7-11(8-6-10)18(22)23/h5-8,12H,9H2,1-4H3,(H,17,21)/t12-/m1/s1
InChIKey MPNBOSBYUWUGSR-GFCCVEGCSA-N
Mol Weight 352.34 g/mol
Molecular Formula C16H20N2O7
Exact Mass 352.127051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D2dyMnsGm
Name (2S)-2-(tert-butoxycarbonylamino)-4-keto-4-(4-nitrophenyl)butyric acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C16H20N2O7
InChI InChI=1S/C16H20N2O7/c1-16(2,3)25-15(21)17-12(14(20)24-4)9-13(19)10-5-7-11(8-6-10)18(22)23/h5-8,12H,9H2,1-4H3,(H,17,21)/t12-/m1/s1
InChIKey MPNBOSBYUWUGSR-GFCCVEGCSA-N
Molecular Weight 352.343 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](CC(c1ccc(N(=O)=O)cc1)=O)(C(=O)OC)[H]
SPLASH splash10-0udj-0090000000-9c5bd575189422a26e7d
Source of Spectrum KC-0-869-8
Synonyms (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(4-nitrophenyl)-4-oxobutanoic acid methyl ester methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-nitrophenyl)-4-oxidanylidene-butanoate methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-nitrophenyl)-4-oxobutanoate (2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(4-nitrophenyl)-4-oxobutanoic acid methyl ester methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-nitrophenyl)-4-oxobutanoate methyl (2R)-2-(tert-butoxycarbonylamino)-4-(4-nitrophenyl)-4-oxo-butanoate methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-nitrophenyl)-4-oxidanylidene-butanoate
Wiley ID 787742