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Ethyl (3S,5R)-[N-benzyl-5-[[(benzyloxycarbonyl)-amino]methyl]isoxazolidine-3-yl]acetate
SpectraBase Compound ID KtxkeRrGAPy
InChI InChI=1S/C23H28N2O5/c1-2-28-22(26)14-20-13-21(30-25(20)16-18-9-5-3-6-10-18)15-24-23(27)29-17-19-11-7-4-8-12-19/h3-12,20-21H,2,13-17H2,1H3,(H,24,27)/t20-,21+/m0/s1
InChIKey QPKYASFKSJUSDG-LEWJYISDSA-N
Mol Weight 412.49 g/mol
Molecular Formula C23H28N2O5
Exact Mass 412.199822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CM9TQo4fJMD
Name Ethyl (3S,5R)-[N-benzyl-5-[[(benzyloxycarbonyl)-amino]methyl]isoxazolidine-3-yl]acetate
Alternate Name(s) Ethyl[(3S,5R)-2-benzyl-5-({[(benzyloxy)carbonyl]amino}methyl)isoxazolidinyl]acetate
CAS Registry Number 119719-84-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28N2O5
InChI InChI=1S/C23H28N2O5/c1-2-28-22(26)14-20-13-21(30-25(20)16-18-9-5-3-6-10-18)15-24-23(27)29-17-19-11-7-4-8-12-19/h3-12,20-21H,2,13-17H2,1H3,(H,24,27)/t20-,21+/m0/s1
InChIKey QPKYASFKSJUSDG-LEWJYISDSA-N
Molecular Weight 412.486 g/mol
SMILES N(C(=O)OCc1ccccc1)C[C@@]1(ON([C@](CC(=O)OCC)(C1)[H])Cc1ccccc1)[H]
SPLASH splash10-0006-9002100000-026afa6fb12dd9717601
Source of Spectrum J-54-2232-31
Wiley ID 1374467