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METHYL-4-(4,4-DICYANO-2-METHOXYCARBONYLBUTYLAMINO)-BENZOATE
SpectraBase Compound ID 5OGMXPa0j7x
InChI InChI=1S/C16H17N3O4/c1-22-15(20)12-3-5-14(6-4-12)19-10-13(16(21)23-2)7-11(8-17)9-18/h3-6,11,13,19H,7,10H2,1-2H3
InChIKey RXQFWQVXZGERAP-UHFFFAOYSA-N
Mol Weight 315.33 g/mol
Molecular Formula C16H17N3O4
Exact Mass 315.121906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2FouUMkhgsK
Name METHYL-4-(4,4-DICYANO-2-METHOXYCARBONYLBUTYLAMINO)-BENZOATE
Compound Number 14B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H17N3O4
InChI InChI=1S/C16H17N3O4/c1-22-15(20)12-3-5-14(6-4-12)19-10-13(16(21)23-2)7-11(8-17)9-18/h3-6,11,13,19H,7,10H2,1-2H3
InChIKey RXQFWQVXZGERAP-UHFFFAOYSA-N
Literature Reference Author J.I.BORRELL,J.TEIXIDO,J.L.MATALLANA,B.MARTINEZ-TEIPEL,C.COLO MINAS,M.COSTA,M.BALC
Literature Reference Citation J.MED.CHEM.,44,2366(2001)
Literature Reference DOI 10.1021/jm990411u
Molecular Weight 315.329 g/mol
Sample ID 44626
Solvent CDCl3