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2,3-Isoxazolidinedicarboxylic acid, 3-(1,1-dimethylethyl) 2-(phenylmethyl) ester, (S)-
SpectraBase Compound ID FqG0qbcNvEm
InChI InChI=1S/C16H21NO5/c1-16(2,3)22-14(18)13-9-10-21-17(13)15(19)20-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m0/s1
InChIKey ZJWDBNIWIQBXCR-ZDUSSCGKSA-N
Mol Weight 307.35 g/mol
Molecular Formula C16H21NO5
Exact Mass 307.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FIBx7nDMaNk
Name 2,3-Isoxazolidinedicarboxylic acid, 3-(1,1-dimethylethyl) 2-(phenylmethyl) ester, (S)-
CAS Registry Number 78266-76-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO5
InChI InChI=1S/C16H21NO5/c1-16(2,3)22-14(18)13-9-10-21-17(13)15(19)20-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m0/s1
InChIKey ZJWDBNIWIQBXCR-ZDUSSCGKSA-N
Molecular Weight 307.346 g/mol
SMILES [C@]1(N(OCC1)C(OCc1ccccc1)=O)(C(OC(C)(C)C)=O)[H]
SPLASH splash10-00ou-9000000000-ff9d7d978bbb70904c9b
Source of Spectrum H-66-1247-0
Synonyms 2-Benzyl 3-tert-butyl (3S)-2,3-isoxazolidinedicarboxylate t-Butyl (S)-2-benzyloxycarbonyl-3-isoxazolidinecarboxylate
Wiley ID 1308911