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4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(fluorosulfonyl)oxy]-3,3-dimethyl-7-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, [2S-(2.alpha.,5.alpha.,6.alpha.)]-
SpectraBase Compound ID CNbUs9md9Jy
InChI InChI=1S/C14H20FNO8S2/c1-13(2,3)12(19)23-6-22-11(18)8-14(4,5)25-10-7(9(17)16(8)10)24-26(15,20)21/h7-8,10H,6H2,1-5H3/t7-,8-,10+/m0/s1
InChIKey LLKOZWBBJLQZNT-OYNCUSHFSA-N
Mol Weight 413.43 g/mol
Molecular Formula C14H20FNO8S2
Exact Mass 413.061437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 82jKmyfFnXu
Name 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(fluorosulfonyl)oxy]-3,3-dimethyl-7-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, [2S-(2.alpha.,5.alpha.,6.alpha.)]-
CAS Registry Number 81658-78-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20FNO8S2
InChI InChI=1S/C14H20FNO8S2/c1-13(2,3)12(19)23-6-22-11(18)8-14(4,5)25-10-7(9(17)16(8)10)24-26(15,20)21/h7-8,10H,6H2,1-5H3/t7-,8-,10+/m0/s1
InChIKey LLKOZWBBJLQZNT-OYNCUSHFSA-N
Molecular Weight 413.431 g/mol
SMILES [C@@]12(N([C@](C(S2)(C)C)(C(OCOC(C(C)(C)C)=O)=O)[H])C([C@@]1(OS(=O)(=O)F)[H])=O)[H]
SPLASH splash10-0a4r-9200000000-10dfe39a50c6ee1386f1
Source of Spectrum J-51-3218-2
Synonyms [(2,2-dimethylpropanoyl)oxy]methyl (2S,5R,6S)-6-[(fluorosulfonyl)oxy]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Wiley ID 1374939