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(2S)-2-(tert-butoxycarbonylamino)-4-(4-methoxyphenyl)butyric acid benzyl ester
SpectraBase Compound ID 3eIOSMd3tLE
InChI InChI=1S/C23H29NO5/c1-23(2,3)29-22(26)24-20(15-12-17-10-13-19(27-4)14-11-17)21(25)28-16-18-8-6-5-7-9-18/h5-11,13-14,20H,12,15-16H2,1-4H3,(H,24,26)/t20-/m0/s1
InChIKey IADSJOXPFBBSEI-FQEVSTJZSA-N
Mol Weight 399.49 g/mol
Molecular Formula C23H29NO5
Exact Mass 399.204573 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AV11EUeou0N
Name (2S)-2-(Tert-butoxycarbonylamino)-4-(4-methoxyphenyl)butyric acid benzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 399.204573033 u
Formula C23H29NO5
InChI InChI=1S/C23H29NO5/c1-23(2,3)29-22(26)24-20(15-12-17-10-13-19(27-4)14-11-17)21(25)28-16-18-8-6-5-7-9-18/h5-11,13-14,20H,12,15-16H2,1-4H3,(H,24,26)/t20-/m0/s1
InChIKey IADSJOXPFBBSEI-FQEVSTJZSA-N
Molecular Weight 399.487 g/mol
SMILES C(N[C@](C(OCC=1C=CC=CC1)=O)(CCC=1C=CC(=CC1)OC)[H])(OC(C)(C)C)=O