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1-ETHYL-1,4-DIHYDRO-6-CHLORO-7-[(1-IMIDAZOYL)-PHENYLMETHYL]-4-OXO-3-QUINOLINE-CARBOXYLIC-ACID
SpectraBase Compound ID KrIUGBR1Umo
InChI InChI=1S/C22H18ClN3O3/c1-2-25-12-17(22(28)29)21(27)16-10-18(23)15(11-19(16)25)20(26-9-8-24-13-26)14-6-4-3-5-7-14/h3-13,20H,2H2,1H3,(H,28,29)
InChIKey QENBCOPMPIYTTG-UHFFFAOYSA-N
Mol Weight 407.86 g/mol
Molecular Formula C22H18ClN3O3
Exact Mass 407.103669 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8IYMNPI1lOw
Name 1-ETHYL-1,4-DIHYDRO-6-CHLORO-7-[(1-IMIDAZOYL)-PHENYLMETHYL]-4-OXO-3-QUINOLINE-CARBOXYLIC-ACID
Compound Number 10 A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H18ClN3O3
InChI InChI=1S/C22H18ClN3O3/c1-2-25-12-17(22(28)29)21(27)16-10-18(23)15(11-19(16)25)20(26-9-8-24-13-26)14-6-4-3-5-7-14/h3-13,20H,2H2,1H3,(H,28,29)
InChIKey QENBCOPMPIYTTG-UHFFFAOYSA-N
Literature Reference Author J.FRIGOLA,A.COLOMBO,J.MAS,J.PARES
Literature Reference Citation J.HETCYCL.CHEM.,24,399(1987)
Literature Reference DOI 10.1002/jhet.5570240220
Molecular Weight 407.856 g/mol
Solvent DMSO-D6
Source File Reference UWED7397