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4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-chloro-6-fluoro-3,3-dimethyl-7-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, [2S-(2.alpha.,5.alpha.,6.beta.)]-
SpectraBase Compound ID CmgQgUSKB1Q
InChI InChI=1S/C14H19ClFNO5S/c1-12(2,3)11(20)22-6-21-8(18)7-13(4,5)23-10-14(15,16)9(19)17(7)10/h7,10H,6H2,1-5H3/t7-,10+,14+/m0/s1
InChIKey UFTUHLXKOQRFOE-LTRYTXMFSA-N
Mol Weight 367.82 g/mol
Molecular Formula C14H19ClFNO5S
Exact Mass 367.06565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DIy7Q7pLlEr
Name 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-chloro-6-fluoro-3,3-dimethyl-7-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, [2S-(2.alpha.,5.alpha.,6.beta.)]-
CAS Registry Number 124593-94-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19ClFNO5S
InChI InChI=1S/C14H19ClFNO5S/c1-12(2,3)11(20)22-6-21-8(18)7-13(4,5)23-10-14(15,16)9(19)17(7)10/h7,10H,6H2,1-5H3/t7-,10+,14+/m0/s1
InChIKey UFTUHLXKOQRFOE-LTRYTXMFSA-N
Molecular Weight 367.819 g/mol
SMILES [C@@]12(N([C@](C(S2)(C)C)(C(OCOC(C(C)(C)C)=O)=O)[H])C([C@]1(F)Cl)=O)[H]
SPLASH splash10-0a4i-9000000000-3a797d3d10c1f721fe4d
Source of Spectrum J-55-3676-3
Synonyms 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 6-chloro-6-fluoro-3,3-dimethyl-7-oxo, (2,2-dimethyl-1-oxopropxy)methyl ester, [2s(2.alpha.,5.alpha.,6.beta)] [(2,2-dimethylpropanoyl)oxy]methyl (2S,5R,6S)-6-chloro-6-fluoro-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Wiley ID 1352415