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1-(1'-NITRO-2'-OXOCYCLOHEXYL)-HEPTAN-3-ONE
SpectraBase Compound ID DhVaH6ywb7N
InChI InChI=1S/C13H21NO4/c1-2-3-6-11(15)8-10-13(14(17)18)9-5-4-7-12(13)16/h2-10H2,1H3
InChIKey ACLDMLXTKGKSCZ-UHFFFAOYSA-N
Mol Weight 255.31 g/mol
Molecular Formula C13H21NO4
Exact Mass 255.147058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LnESwEXHDq4
Name 1-(1'-NITRO-2'-OXOCYCLOHEXYL)-HEPTAN-3-ONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H21NO4
InChI InChI=1S/C13H21NO4/c1-2-3-6-11(15)8-10-13(14(17)18)9-5-4-7-12(13)16/h2-10H2,1H3
InChIKey ACLDMLXTKGKSCZ-UHFFFAOYSA-N
Literature Reference Author M.VAVRECKA,M.HESSE
Literature Reference Citation HELV.CHIM.ACTA,74,438(1991)
Literature Reference DOI 10.1002/hlca.19910740221
Molecular Weight 255.314 g/mol
Solvent CDCl3
Source File Reference UWVP4789