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(3R*,5R*)-N-benzyl-5-[[(benzyloxycarbonyl)amino]methyl]-3-[[(p-tolylsulfonyl)oxy]methyl]isoxazolidine
SpectraBase Compound ID 3cZuJkieWEN
InChI InChI=1S/C27H30N2O6S/c1-21-12-14-26(15-13-21)36(31,32)34-20-24-16-25(35-29(24)18-22-8-4-2-5-9-22)17-28-27(30)33-19-23-10-6-3-7-11-23/h2-15,24-25H,16-20H2,1H3,(H,28,30)/t24-,25-/m1/s1
InChIKey ZBOIPEUTPDERQO-JWQCQUIFSA-N
Mol Weight 510.61 g/mol
Molecular Formula C27H30N2O6S
Exact Mass 510.182458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GTZ3UehLMDQ
Name (3R*,5R*)-N-benzyl-5-[[(benzyloxycarbonyl)amino]methyl]-3-[[(p-tolylsulfonyl)oxy]methyl]isoxazolidine
Alternate Name(s) [(3R,5R)-2-benzyl-5-({[(benzyloxy)carbonyl]amino}methyl)isoxazolidinyl]methyl 4-methylbenzenesulfonate
CAS Registry Number 119680-70-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30N2O6S
InChI InChI=1S/C27H30N2O6S/c1-21-12-14-26(15-13-21)36(31,32)34-20-24-16-25(35-29(24)18-22-8-4-2-5-9-22)17-28-27(30)33-19-23-10-6-3-7-11-23/h2-15,24-25H,16-20H2,1H3,(H,28,30)/t24-,25-/m1/s1
InChIKey ZBOIPEUTPDERQO-JWQCQUIFSA-N
Molecular Weight 510.605 g/mol
SMILES N(C(=O)OCc1ccccc1)C[C@]1(C[C@@](N(O1)Cc1ccccc1)(COS(c1ccc(cc1)C)(=O)=O)[H])[H]
SPLASH splash10-0006-9200000000-2ddcf139f36bd3abc2fa
Source of Spectrum J-54-2229-8
Wiley ID 1400486