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(2S,3S)-2-(tert-butoxycarbonylamino)-4-keto-4-(4-methoxyphenyl)-3-methyl-butyric acid methyl ester
SpectraBase Compound ID LreD93hieHY
InChI InChI=1S/C18H25NO6/c1-11(15(20)12-7-9-13(23-5)10-8-12)14(16(21)24-6)19-17(22)25-18(2,3)4/h7-11,14H,1-6H3,(H,19,22)/t11-,14-/m0/s1
InChIKey ZPQTXYOCJRPCFX-FZMZJTMJSA-N
Mol Weight 351.4 g/mol
Molecular Formula C18H25NO6
Exact Mass 351.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3rgVKNMAS9y
Name (2S,3S)-2-(tert-butoxycarbonylamino)-4-keto-4-(4-methoxyphenyl)-3-methyl-butyric acid methyl ester
Alternate Name(s) (2S,3S)-4-(4-methoxyphenyl)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutanoic acid methyl ester methyl (2S,3S)-4-(4-methoxyphenyl)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate methyl (2S,3S)-4-(4-methoxyphenyl)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
Comments Less than 3 mono-isotopic peaks
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Formula C18H25NO6
InChI InChI=1S/C18H25NO6/c1-11(15(20)12-7-9-13(23-5)10-8-12)14(16(21)24-6)19-17(22)25-18(2,3)4/h7-11,14H,1-6H3,(H,19,22)/t11-,14-/m0/s1
InChIKey ZPQTXYOCJRPCFX-FZMZJTMJSA-N
Molecular Weight 351.399 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@@]([C@@](C(c1ccc(cc1)OC)=O)(C)[H])(C(=O)OC)[H]
SPLASH splash10-000i-0900000000-fb2b21110319a70b935e
Source of Spectrum J-64-1697-13
Wiley ID 1529608