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Benzyl 2(S)-[(tert-butoxycarbonyl)amino]-4-oxo-pentanoate

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

Benzyl 2(S)-[(tert-butoxycarbonyl)amino]-4-oxo-pentanoate
SpectraBase Compound ID 77kCEGJvGT2
InChI InChI=1S/C17H23NO5/c1-12(19)10-14(18-16(21)23-17(2,3)4)15(20)22-11-13-8-6-5-7-9-13/h5-9,14H,10-11H2,1-4H3,(H,18,21)/t14-/m0/s1
InChIKey XRIGGGWREKBODJ-AWEZNQCLSA-N
Mol Weight 321.37 g/mol
Molecular Formula C17H23NO5
Exact Mass 321.157623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F4m6kfwN74V
Name Benzyl 2(S)-[(tert-butoxycarbonyl)amino]-4-oxo-pentanoate
Comments Computed using HOSE algorithm
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Exact Mass 321.157622840 u
Formula C17H23NO5
InChI InChI=1S/C17H23NO5/c1-12(19)10-14(18-16(21)23-17(2,3)4)15(20)22-11-13-8-6-5-7-9-13/h5-9,14H,10-11H2,1-4H3,(H,18,21)/t14-/m0/s1
InChIKey XRIGGGWREKBODJ-AWEZNQCLSA-N
Molecular Weight 321.373 g/mol
SMILES C(N[C@](C(OCC=1C=CC=CC1)=O)(CC(=O)C)[H])(OC(C)(C)C)=O