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(2S,5R,6R)-6-fluoro-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,6R)-6-fluoro-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 8tgT3YsDq9M
InChI InChI=1S/C14H20FNO5S/c1-13(2,3)12(19)21-6-20-11(18)8-14(4,5)22-10-7(15)9(17)16(8)10/h7-8,10H,6H2,1-5H3/t7-,8+,10-/m1/s1
InChIKey ZHZUYGBVQBJMCF-KHQFGBGNSA-N
Mol Weight 333.37 g/mol
Molecular Formula C14H20FNO5S
Exact Mass 333.104622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AR4fUAI7N6W
Name (2S,5R,6R)-6-fluoro-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 124593-96-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20FNO5S
InChI InChI=1S/C14H20FNO5S/c1-13(2,3)12(19)21-6-20-11(18)8-14(4,5)22-10-7(15)9(17)16(8)10/h7-8,10H,6H2,1-5H3/t7-,8+,10-/m1/s1
InChIKey ZHZUYGBVQBJMCF-KHQFGBGNSA-N
Molecular Weight 333.374 g/mol
SMILES [C@@]12(N([C@](C(S2)(C)C)(C(OCOC(C(C)(C)C)=O)=O)[H])C([C@]1(F)[H])=O)[H]
SPLASH splash10-0a4i-9000000000-57df5f609c7fe10403f6
Source of Spectrum J-55-3677-3
Synonyms (2S,5R,6R)-6-fluoro-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid pivaloyloxymethyl ester 2,2-Dimethylpropanoyloxymethyl (2S,5R,6R)-6-fluoranyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Wiley ID 1330086