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2,2,2-Trifluoro-N-((3S,5S,6R)-5-hydroxy-2-oxo-5-phenyl-1-aza-bicyclo[4.2.0]oct-3-yl)-acetamide

View entire compound with spectra: 1 MS (GC)

2,2,2-Trifluoro-N-((3S,5S,6R)-5-hydroxy-2-oxo-5-phenyl-1-aza-bicyclo[4.2.0]oct-3-yl)-acetamide
SpectraBase Compound ID 26jdZv3hcAL
InChI InChI=1S/C15H15F3N2O3/c16-15(17,18)13(22)19-10-8-14(23,9-4-2-1-3-5-9)11-6-7-20(11)12(10)21/h1-5,10-11,23H,6-8H2,(H,19,22)/t10-,11+,14-/m0/s1
InChIKey KRBIWMLOCVGDDG-WDMOLILDSA-N
Mol Weight 328.29 g/mol
Molecular Formula C15H15F3N2O3
Exact Mass 328.103477 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DcIrvNUfPMG
Name 2,2,2-Trifluoro-N-((3S,5S,6R)-5-hydroxy-2-oxo-5-phenyl-1-aza-bicyclo[4.2.0]oct-3-yl)-acetamide
Alternate Name(s) (3S,5S,5aR)-(+-)-3-Trifluoroacetylamino-5-hydroxy-5-phenyl-1-azabicyclo[4.2.0]octan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15F3N2O3
InChI InChI=1S/C15H15F3N2O3/c16-15(17,18)13(22)19-10-8-14(23,9-4-2-1-3-5-9)11-6-7-20(11)12(10)21/h1-5,10-11,23H,6-8H2,(H,19,22)/t10-,11+,14-/m0/s1
InChIKey KRBIWMLOCVGDDG-WDMOLILDSA-N
Molecular Weight 328.291 g/mol
SMILES N(C(C(F)(F)F)=O)[C@@]1(C(N2[C@@]([C@](C1)(c1ccccc1)O)(CC2)[H])=O)[H]
SPLASH splash10-0a4i-9300000000-3b53555be56add23a876
Source of Spectrum QC-9-4468-7a
Wiley ID 870949