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(2S,5R,6S)-6-hydroxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester

View entire compound with spectra: 1 MS (GC)

(2S,5R,6S)-6-hydroxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester
SpectraBase Compound ID 3xVYR4PfKpE
InChI InChI=1S/C14H21NO6S/c1-13(2,3)12(19)21-6-20-11(18)8-14(4,5)22-10-7(16)9(17)15(8)10/h7-8,10,16H,6H2,1-5H3/t7-,8-,10+/m0/s1
InChIKey XJOOMHYGNMOMBX-OYNCUSHFSA-N
Mol Weight 331.38 g/mol
Molecular Formula C14H21NO6S
Exact Mass 331.108959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 94awSxGrHHu
Name (2S,5R,6S)-6-hydroxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester
CAS Registry Number 83116-46-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21NO6S
InChI InChI=1S/C14H21NO6S/c1-13(2,3)12(19)21-6-20-11(18)8-14(4,5)22-10-7(16)9(17)15(8)10/h7-8,10,16H,6H2,1-5H3/t7-,8-,10+/m0/s1
InChIKey XJOOMHYGNMOMBX-OYNCUSHFSA-N
Molecular Weight 331.383 g/mol
SMILES O[C@]1(C(N2[C@@]1(SC([C@@]2(C(OCOC(C(C)(C)C)=O)=O)[H])(C)C)[H])=O)[H]
SPLASH splash10-0a4i-9100000000-39fef5fb9c0d56cfc512
Source of Spectrum J-55-3677-3
Synonyms (2S,5R,6S)-6-hydroxy-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid pivaloyloxymethyl ester 2,2-Dimethylpropanoyloxymethyl (2S,5R,6S)-3,3-dimethyl-6-oxidanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Wiley ID 1328517