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METHYL-4-(5,5-DICYANO-3-METHOXYCARBONYLPENTYL)-BENZOATE
SpectraBase Compound ID 1mwJBDAMSWj
InChI InChI=1S/C17H19N3O4/c1-23-16(21)13-3-5-15(6-4-13)20-8-7-14(17(22)24-2)9-12(10-18)11-19/h3-6,12,14,20H,7-9H2,1-2H3
InChIKey KQQHDDLJRYFQLZ-UHFFFAOYSA-N
Mol Weight 329.36 g/mol
Molecular Formula C17H19N3O4
Exact Mass 329.137556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2N8D6mHEpmC
Name METHYL-4-(5,5-DICYANO-3-METHOXYCARBONYLPENTYL)-BENZOATE
Compound Number 14C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H19N3O4
InChI InChI=1S/C17H19N3O4/c1-23-16(21)13-3-5-15(6-4-13)20-8-7-14(17(22)24-2)9-12(10-18)11-19/h3-6,12,14,20H,7-9H2,1-2H3
InChIKey KQQHDDLJRYFQLZ-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 329.356 g/mol
Sample ID 44627
Solvent CDCl3