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(3S*,5R*)-N-benzyl-5-[[(benzyloxycarbonyl)amino]methyl]-3-(cyanomethyl)isoxazolidine
SpectraBase Compound ID 79fraobFWQY
InChI InChI=1S/C21H23N3O3/c22-12-11-19-13-20(27-24(19)15-17-7-3-1-4-8-17)14-23-21(25)26-16-18-9-5-2-6-10-18/h1-10,19-20H,11,13-16H2,(H,23,25)/t19-,20+/m0/s1
InChIKey ACKDKAUILMDLQQ-VQTJNVASSA-N
Mol Weight 365.43 g/mol
Molecular Formula C21H23N3O3
Exact Mass 365.173942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5fHQ9RtI8fy
Name (3S*,5R*)-N-benzyl-5-[[(benzyloxycarbonyl)amino]methyl]-3-(cyanomethyl)isoxazolidine
CAS Registry Number 119719-70-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23N3O3
InChI InChI=1S/C21H23N3O3/c22-12-11-19-13-20(27-24(19)15-17-7-3-1-4-8-17)14-23-21(25)26-16-18-9-5-2-6-10-18/h1-10,19-20H,11,13-16H2,(H,23,25)/t19-,20+/m0/s1
InChIKey ACKDKAUILMDLQQ-VQTJNVASSA-N
Molecular Weight 365.433 g/mol
SMILES N(C(=O)OCc1ccccc1)C[C@@]1(ON([C@](C1)(CC#N)[H])Cc1ccccc1)[H]
SPLASH splash10-0006-9000000000-103038e0b42065aba3ab
Source of Spectrum J-54-2230-9
Synonyms benzyl[(3S,5R)-2-benzyl-3-(cyanomethyl)isoxazolidinyl]methylcarbamate
Wiley ID 1351443