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N-TERT.-BUTYL-N-(CYANOMETHYL)-ISONICOTINAMIDE

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N-TERT.-BUTYL-N-(CYANOMETHYL)-ISONICOTINAMIDE
SpectraBase Compound ID 2tqCyyHvJF3
InChI InChI=1S/C12H15N3O/c1-12(2,3)15(9-6-13)11(16)10-4-7-14-8-5-10/h4-5,7-8H,9H2,1-3H3
InChIKey MPPOUFZGLIPRIT-UHFFFAOYSA-N
Mol Weight 217.27 g/mol
Molecular Formula C12H15N3O
Exact Mass 217.121512 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 51mMA9bdzTC
Name N-TERT.-BUTYL-N-(CYANOMETHYL)-ISONICOTINAMIDE
Compound Number 12A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H15N3O
InChI InChI=1S/C12H15N3O/c1-12(2,3)15(9-6-13)11(16)10-4-7-14-8-5-10/h4-5,7-8H,9H2,1-3H3
InChIKey MPPOUFZGLIPRIT-UHFFFAOYSA-N
Literature Reference Author G.ARNOTT,J.CLAYDEN,S.D.HAMILTON
Literature Reference Citation ORG.LETTERS,8,5325(2006)
Literature Reference DOI 10.1021/ol062126s
Molecular Weight 217.271 g/mol
Sample ID 58930
Solvent CDCl3