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(2S)-2-(tert-butoxycarbonylamino)-4-(4-nitrophenyl)butyric acid benzyl ester
SpectraBase Compound ID 9JRck10NO4i
InChI InChI=1S/C22H26N2O6/c1-22(2,3)30-21(26)23-19(20(25)29-15-17-7-5-4-6-8-17)14-11-16-9-12-18(13-10-16)24(27)28/h4-10,12-13,19H,11,14-15H2,1-3H3,(H,23,26)/t19-/m0/s1
InChIKey WSMDSNHBUQVTLP-IBGZPJMESA-N
Mol Weight 414.46 g/mol
Molecular Formula C22H26N2O6
Exact Mass 414.179087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E7FK7x1QOXr
Name (2S)-2-(tert-butoxycarbonylamino)-4-(4-nitrophenyl)butyric acid benzyl ester
Alternate Name(s) (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(4-nitrophenyl)butanoic acid (phenylmethyl) ester (phenylmethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-nitrophenyl)butanoate benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-nitrophenyl)butanoate
Comments Less than 3 mono-isotopic peaks
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Formula C22H26N2O6
InChI InChI=1S/C22H26N2O6/c1-22(2,3)30-21(26)23-19(20(25)29-15-17-7-5-4-6-8-17)14-11-16-9-12-18(13-10-16)24(27)28/h4-10,12-13,19H,11,14-15H2,1-3H3,(H,23,26)/t19-/m0/s1
InChIKey WSMDSNHBUQVTLP-IBGZPJMESA-N
Molecular Weight 414.458 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](C(OCc1ccccc1)=O)(CCc1ccc(N(=O)=O)cc1)[H]
SPLASH splash10-0a4i-0009000000-cf6e2416b2438ffdebb6
Source of Spectrum J-63-7882-7
Wiley ID 1375368