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Tert-butyl (2S)-2-(benzyloxycarbonyl)amino-3-(p-nitrophenyl)butanoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Tert-butyl (2S)-2-(benzyloxycarbonyl)amino-3-(p-nitrophenyl)butanoate
SpectraBase Compound ID 9f8XBLF7t4P
InChI InChI=1S/C22H26N2O6/c1-15(17-10-12-18(13-11-17)24(27)28)19(20(25)30-22(2,3)4)23-21(26)29-14-16-8-6-5-7-9-16/h5-13,15,19H,14H2,1-4H3,(H,23,26)/t15?,19-/m0/s1
InChIKey BXPVRRKGGOUGBR-FUBQLUNQSA-N
Mol Weight 414.46 g/mol
Molecular Formula C22H26N2O6
Exact Mass 414.179087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K1L36SupUxK
Name Tert-butyl (2S)-2-(benzyloxycarbonyl)amino-3-(p-nitrophenyl)butanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.179086559 u
Formula C22H26N2O6
InChI InChI=1S/C22H26N2O6/c1-15(17-10-12-18(13-11-17)24(27)28)19(20(25)30-22(2,3)4)23-21(26)29-14-16-8-6-5-7-9-16/h5-13,15,19H,14H2,1-4H3,(H,23,26)/t15?,19-/m0/s1
InChIKey BXPVRRKGGOUGBR-FUBQLUNQSA-N
Molecular Weight 414.458 g/mol
SMILES C=1(N(=O)=O)C=CC(C([C@@](C(OC(C)(C)C)=O)(NC(=O)OCC=2C=CC=CC2)[H])C)=CC1