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5-Thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid, 3-fluoro-3-methyl-8-oxo-7-[(phenoxyacetyl)amino]-, phenylmethyl ester, [2S-(2.alpha.,3.beta.,6.alpha.,7.beta.)]-
SpectraBase Compound ID BRZwIC7MsnJ
InChI InChI=1S/C23H23FN2O5S/c1-23(24)14-32-21-18(25-17(27)13-30-16-10-6-3-7-11-16)20(28)26(21)19(23)22(29)31-12-15-8-4-2-5-9-15/h2-11,18-19,21H,12-14H2,1H3,(H,25,27)/t18-,19+,21-,23+/m1/s1
InChIKey LHGDSJQRBKIGTN-XZYOPWHXSA-N
Mol Weight 458.5 g/mol
Molecular Formula C23H23FN2O5S
Exact Mass 458.131171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ZJaZMFvxwI
Name 5-Thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid, 3-fluoro-3-methyl-8-oxo-7-[(phenoxyacetyl)amino]-, phenylmethyl ester, [2S-(2.alpha.,3.beta.,6.alpha.,7.beta.)]-
Alternate Name(s) benzyl (2S,3R,6R,7R)-3-fluoro-3-methyl-8-oxo-7-[(phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Benzyl (2S,3S,6R,7R)-3-fluoro-3-methyl-8-oxo-7-phenoxyacetamido-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate
CAS Registry Number 115234-89-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23FN2O5S
InChI InChI=1S/C23H23FN2O5S/c1-23(24)14-32-21-18(25-17(27)13-30-16-10-6-3-7-11-16)20(28)26(21)19(23)22(29)31-12-15-8-4-2-5-9-15/h2-11,18-19,21H,12-14H2,1H3,(H,25,27)/t18-,19+,21-,23+/m1/s1
InChIKey LHGDSJQRBKIGTN-XZYOPWHXSA-N
Molecular Weight 458.504 g/mol
SMILES N([C@]1([C@@]2(N(C1=O)[C@]([C@](CS2)(F)C)(C(OCc1ccccc1)=O)[H])[H])[H])C(=O)COc1ccccc1
SPLASH splash10-00kf-9340000000-709e7fec975d2d79456f
Source of Spectrum F-43-1011-25
Wiley ID 1389812