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6-[(4-METHYLPHENYL)-SULFONYL]-6-AZABICYCLO-[3.1.0]-HEXAN-3-ONE
SpectraBase Compound ID IKrLfo9zgzT
InChI InChI=1S/C12H13NO3S/c1-8-2-4-10(5-3-8)17(15,16)13-11-6-9(14)7-12(11)13/h2-5,11-12H,6-7H2,1H3
InChIKey XTEVYBNIVPAGJF-UHFFFAOYSA-N
Mol Weight 251.3 g/mol
Molecular Formula C12H13NO3S
Exact Mass 251.061614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cl6FgTHNhTK
Name 6-[(4-METHYLPHENYL)-SULFONYL]-6-AZABICYCLO-[3.1.0]-HEXAN-3-ONE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13NO3S
InChI InChI=1S/C12H13NO3S/c1-8-2-4-10(5-3-8)17(15,16)13-11-6-9(14)7-12(11)13/h2-5,11-12H,6-7H2,1H3
InChIKey XTEVYBNIVPAGJF-UHFFFAOYSA-N
Literature Reference Author D.CAINE,P.O.BRIEN,C.M.ROSSER
Literature Reference Citation ORG.LETTERS,4,1923(2002)
Literature Reference DOI 10.1021/ol0259387
Molecular Weight 251.300 g/mol
Sample ID 28313
Solvent CDCl3