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(3S,5R,5aR)-(+-)-3-Benzyloxycarbonylamino-5-hydroxy-5-phenyl-1-azabicyclo[4.2.0]octan-2-one
SpectraBase Compound ID FXpyky7kmfQ
InChI InChI=1S/C21H22N2O4/c24-19-17(22-20(25)27-14-15-7-3-1-4-8-15)13-21(26,18-11-12-23(18)19)16-9-5-2-6-10-16/h1-10,17-18,26H,11-14H2,(H,22,25)/t17-,18+,21+/m0/s1
InChIKey MHJFSGATIPIOON-WAOWUJCRSA-N
Mol Weight 366.42 g/mol
Molecular Formula C21H22N2O4
Exact Mass 366.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ClJfAUA9m28
Name (3S,5R,5aR)-(+-)-3-Benzyloxycarbonylamino-5-hydroxy-5-phenyl-1-azabicyclo[4.2.0]octan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O4
InChI InChI=1S/C21H22N2O4/c24-19-17(22-20(25)27-14-15-7-3-1-4-8-15)13-21(26,18-11-12-23(18)19)16-9-5-2-6-10-16/h1-10,17-18,26H,11-14H2,(H,22,25)/t17-,18+,21+/m0/s1
InChIKey MHJFSGATIPIOON-WAOWUJCRSA-N
Molecular Weight 366.417 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@@]1(C(N2[C@@]([C@@](C1)(c1ccccc1)O)(CC2)[H])=O)[H]
SPLASH splash10-0a4l-9200000000-4a36a9681529b359a09b
Source of Spectrum QC-9-4470-8
Synonyms benzyl (3S,5R,6R)-5-hydroxy-2-oxo-5-phenyl-1-azabicyclo[4.2.0]oct-3-ylcarbamate
Wiley ID 870943