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2-methyl-1-(4-nitrophenyl)-1-oxidopiperidin-1-ium
SpectraBase Compound ID 9Pk74bxrHpa
InChI InChI=1S/C12H16N2O3/c1-10-4-2-3-9-14(10,17)12-7-5-11(6-8-12)13(15)16/h5-8,10H,2-4,9H2,1H3
InChIKey RXQYSHASPOTYBJ-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C12H16N2O3
Exact Mass 236.116092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9XPJ1TdNEAU
Name 2-Methyl-1-(4-nitrophenyl)-piperidine N-oxide
CAS Registry Number 78019-85-9
Comments 2ND ROTAMER AT 71.3, 28.7 AND 21.0 PPM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H16N2O3
InChI InChI=1S/C12H16N2O3/c1-10-4-2-3-9-14(10,17)12-7-5-11(6-8-12)13(15)16/h5-8,10H,2-4,9H2,1H3
InChIKey RXQYSHASPOTYBJ-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference A.H. Khuthier, J.M.A. Al.Rawi, Org. Magn. Resonance 18, 104 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3