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Cotinine
SpectraBase Compound ID BjO3PaODPcS
InChI InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3
InChIKey UIKROCXWUNQSPJ-UHFFFAOYSA-N
Mol Weight 176.22 g/mol
Molecular Formula C10H12N2O
Exact Mass 176.094963 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aaxhlh9lhhI
Name 1-Methyl-5-(3-pyridyl)-2-pyrrolidinone
CAS Registry Number 486-56-6
Comments 4',4'-DIDEUTERIO-DERIVATIVE REPORTED AS WELL
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H12N2O
InChI InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3
InChIKey UIKROCXWUNQSPJ-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