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2-NITRO-2-(2'-PHENYLSULFONYLETHYL)-CYCLOHEPTANONE
SpectraBase Compound ID IA0iBpcjAVy
InChI InChI=1S/C15H19NO5S/c17-14-9-5-2-6-10-15(14,16(18)19)11-12-22(20,21)13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2
InChIKey ISMGSIBATNTCGS-UHFFFAOYSA-N
Mol Weight 325.38 g/mol
Molecular Formula C15H19NO5S
Exact Mass 325.098394 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6mD0xWCq2Sa
Name 2-NITRO-2-(2'-PHENYLSULFONYLETHYL)-CYCLOHEPTANONE
Compound Number 29
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H19NO5S
InChI InChI=1S/C15H19NO5S/c17-14-9-5-2-6-10-15(14,16(18)19)11-12-22(20,21)13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2
InChIKey ISMGSIBATNTCGS-UHFFFAOYSA-N
Literature Reference Author G.GIORGI,P.LOPEZ-ALVARDO,S.MIRAND,J.RODRIGUEZ,J.C.MENENDEZ
Literature Reference Citation EUR.J.ORG.CHEM.,2013,1327(2013)
Literature Reference DOI 10.1002/ejoc.201201431
Molecular Weight 325.380 g/mol
Solvent CDCl3
Source File Reference UWBT17631