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4,4-DIMETHYL-1-{4-[(1-BENZYLPIPERIDIN-4-YL)AMINOACETYL]AMINOPHENYL}-1,4-DIHYDRO-3(2H)-ISOQUINOLINONE
SpectraBase Compound ID F8qlJbpIXaT
InChI InChI=1S/C31H36N4O2/c1-31(2)27-11-7-6-10-26(27)29(34-30(31)37)23-12-14-25(15-13-23)33-28(36)20-32-24-16-18-35(19-17-24)21-22-8-4-3-5-9-22/h3-15,24,29,32H,16-21H2,1-2H3,(H,33,36)(H,34,37)
InChIKey RMBZVZXMGHBHNK-UHFFFAOYSA-N
Mol Weight 496.7 g/mol
Molecular Formula C31H36N4O2
Exact Mass 496.283826 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BSzRSuiYzvv
Name 4,4-DIMETHYL-1-{4-[(1-BENZYLPIPERIDIN-4-YL)AMINOACETYL]AMINOPHENYL}-1,4-DIHYDRO-3(2H)-ISOQUINOLINONE
Comments 7 £ì
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C31H36N4O2
InChI InChI=1S/C31H36N4O2/c1-31(2)27-11-7-6-10-26(27)29(34-30(31)37)23-12-14-25(15-13-23)33-28(36)20-32-24-16-18-35(19-17-24)21-22-8-4-3-5-9-22/h3-15,24,29,32H,16-21H2,1-2H3,(H,33,36)(H,34,37)
InChIKey RMBZVZXMGHBHNK-UHFFFAOYSA-N
Instrument Name Bruker WP-80
Literature Reference E.ZARA-KACZIAN, L.HAZAI, G.DEAK, L.GYORGY, P.SOHAR (1990) Acta ChimicaHungarica: v.127, N4, 607-627.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d