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6-(BENZYLAMINO)-5-CYANO-2-METHYLNICOTINIC_ACID_METHYLESTER
SpectraBase Compound ID 50jlPO5g2Gc
InChI InChI=1S/C16H15N3O2/c1-11-14(16(20)21-2)8-13(9-17)15(19-11)18-10-12-6-4-3-5-7-12/h3-8H,10H2,1-2H3,(H,18,19)
InChIKey HOXKHXCNTUCEEQ-UHFFFAOYSA-N
Mol Weight 281.31 g/mol
Molecular Formula C16H15N3O2
Exact Mass 281.116427 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2xUUVGjGpm5
Name 6-(BENZYLAMINO)-5-CYANO-2-METHYLNICOTINIC_ACID_METHYLESTER
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H15N3O2
InChI InChI=1S/C16H15N3O2/c1-11-14(16(20)21-2)8-13(9-17)15(19-11)18-10-12-6-4-3-5-7-12/h3-8H,10H2,1-2H3,(H,18,19)
InChIKey HOXKHXCNTUCEEQ-UHFFFAOYSA-N
Literature Reference Author C.DELOSRIOS,J.EGEA,J.MARCO-CONTELLES,R.LEON,A.SAMADI,I.IRIEP A,I.MORALEDA,E.GALVE
Literature Reference Citation J.MED.CHEM.,53,5129(2010)
Literature Reference DOI 10.1021/jm901902w
Molecular Weight 281.314 g/mol
Solvent DMSO-D6
Source File Reference UWMZ47393