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(S)-2-Benzyloxycarbonylamino-4-oxo-4-phenylbutanoyl azetidine

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

(S)-2-Benzyloxycarbonylamino-4-oxo-4-phenylbutanoyl azetidine
SpectraBase Compound ID Ef4SPPi6wEu
InChI InChI=1S/C21H22N2O4/c24-19(17-10-5-2-6-11-17)14-18(20(25)23-12-7-13-23)22-21(26)27-15-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2,(H,22,26)/t18-/m0/s1
InChIKey WKBMWJOYQPFPPO-SFHVURJKSA-N
Mol Weight 366.42 g/mol
Molecular Formula C21H22N2O4
Exact Mass 366.157957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5KqCgJQfGDY
Name (S)-2-Benzyloxycarbonylamino-4-oxo-4-phenylbutanoyl azetidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.157957192 u
Formula C21H22N2O4
InChI InChI=1S/C21H22N2O4/c24-19(17-10-5-2-6-11-17)14-18(20(25)23-12-7-13-23)22-21(26)27-15-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2,(H,22,26)/t18-/m0/s1
InChIKey WKBMWJOYQPFPPO-SFHVURJKSA-N
Molecular Weight 366.417 g/mol
SMILES C([C@](CC(=O)C1=CC=CC=C1)(NC(=O)OCC=1C=CC=CC1)[H])(N1CCC1)=O