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Nicotine, 1'-oxide

View entire compound with spectra: 2 NMR, and 7 MS (GC)

Nicotine, 1'-oxide
SpectraBase Compound ID 6OEIfhkSqlW
InChI InChI=1S/C10H14N2O/c1-12(13)7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3
InChIKey RWFBQHICRCUQJJ-UHFFFAOYSA-N
Mol Weight 178.23 g/mol
Molecular Formula C10H14N2O
Exact Mass 178.110613 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JeliVl15JuL
Name Nicotine trans-N'-oxide
Comments from mixture of isomers
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H14N2O
InChI InChI=1S/C10H14N2O/c1-12(13)7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3
InChIKey RWFBQHICRCUQJJ-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference T. Nishida, A. Pilotti, C.R. Enzell, Org. Magn. Resonance 13, 434 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3