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[4',4'-(2)H(2)]-COTININE

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[4',4'-(2)H(2)]-COTININE
SpectraBase Compound ID 7OYMXGVj2qC
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/i5D2
InChIKey UIKROCXWUNQSPJ-BFWBPSQCSA-N
Mol Weight 178.23 g/mol
Molecular Formula C10H102H2N2O
Exact Mass 178.107517 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8oQDRpMEbhC
Name [4',4'-(2)H(2)]-COTININE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H102H2N2O
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/i5D2
InChIKey UIKROCXWUNQSPJ-BFWBPSQCSA-N
Literature Reference Author M.BOTTE,F.MABON,M.L.MOUILLOUR,R.J.ROBINS
Literature Reference Citation PHYTOCHEM.,46,117(1997)
Literature Reference DOI 10.1016/s0031-9422(97)00271-9
Molecular Weight 178.230 g/mol
Sample ID 44804
Solvent CDCl3