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3-Isoxazolidinecarboxylic acid, 2-[3-(acetylthio)-2-methyl-1-oxopropyl]-, 1,1-dimethylethyl ester, [S-(R*,S*)]-
SpectraBase Compound ID 14khuyCVqCy
InChI InChI=1S/C14H23NO5S/c1-9(8-21-10(2)16)12(17)15-11(6-7-19-15)13(18)20-14(3,4)5/h9,11H,6-8H2,1-5H3/t9-,11-/m0/s1
InChIKey GDAUVNYSZIKVBN-ONGXEEELSA-N
Mol Weight 317.4 g/mol
Molecular Formula C14H23NO5S
Exact Mass 317.129694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F2yK2L9UpYx
Name 3-Isoxazolidinecarboxylic acid, 2-[3-(acetylthio)-2-methyl-1-oxopropyl]-, 1,1-dimethylethyl ester, [S-(R*,S*)]-
CAS Registry Number 87423-37-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H23NO5S
InChI InChI=1S/C14H23NO5S/c1-9(8-21-10(2)16)12(17)15-11(6-7-19-15)13(18)20-14(3,4)5/h9,11H,6-8H2,1-5H3/t9-,11-/m0/s1
InChIKey GDAUVNYSZIKVBN-ONGXEEELSA-N
Molecular Weight 317.400 g/mol
SMILES [C@]1(N(OCC1)C([C@](CSC(=O)C)(C)[H])=O)(C(OC(C)(C)C)=O)[H]
SPLASH splash10-014i-6900000000-fb32c5d185a050540de2
Source of Spectrum H-66-1251-0
Synonyms t-Butyl (3S,2'S)-2-(3-acetylthio-2-methylpropanoyl)-3-isoxazolidinecarboxylate tert-Butyl (3S)-2-[(2R)-3-(acetylsulfanyl)-2-methylpropanoyl]-3-isoxazolidinecarboxylate
Wiley ID 1317535