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(2S)-4-(2-aminophenyl)-2-(tert-butoxycarbonylamino)butyric acid benzyl ester
SpectraBase Compound ID 570t00I1PlY
InChI InChI=1S/C22H28N2O4/c1-22(2,3)28-21(26)24-19(14-13-17-11-7-8-12-18(17)23)20(25)27-15-16-9-5-4-6-10-16/h4-12,19H,13-15,23H2,1-3H3,(H,24,26)/t19-/m0/s1
InChIKey UTWOIOSDKZYIGE-IBGZPJMESA-N
Mol Weight 384.48 g/mol
Molecular Formula C22H28N2O4
Exact Mass 384.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1AiZMQ70giC
Name (2S)-4-(2-aminophenyl)-2-(tert-butoxycarbonylamino)butyric acid benzyl ester
Alternate Name(s) (2S)-4-(2-aminophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid (phenylmethyl) ester (phenylmethyl) (2S)-4-(2-aminophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate benzyl (2S)-4-(2-aminophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Comments Less than 3 mono-isotopic peaks
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Formula C22H28N2O4
InChI InChI=1S/C22H28N2O4/c1-22(2,3)28-21(26)24-19(14-13-17-11-7-8-12-18(17)23)20(25)27-15-16-9-5-4-6-10-16/h4-12,19H,13-15,23H2,1-3H3,(H,24,26)/t19-/m0/s1
InChIKey UTWOIOSDKZYIGE-IBGZPJMESA-N
Molecular Weight 384.476 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@@](CCc1c(cccc1)N)(C(OCc1ccccc1)=O)[H]
SPLASH splash10-0059-0009000000-032376f320f74a32967f
Source of Spectrum J-63-7882-7
Wiley ID 1361694