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Cotinine

View entire compound with spectra: 4 NMR, 2 FTIR, and 8 MS (GC)

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 NwH4UbzYRY
Name COTININE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author M.SHIBAGAKI,H.MATSUSHITA,H.KANEKO
Literature Reference Citation HETEROCYCLES,23,1681(1985)
Literature Reference DOI 10.3987/R-1985-07-1681
Molecular Weight 176.218 g/mol
Solvent Unknown
Source File Reference UWED15569