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4,4-DIMETHYL-1-{4-[4-(2-CHLOROPHENYL)PIPERAZINOACETYL]AMINOPHENYL}-1,4-DIHYDRO-3(2H)-ISOQUINOLINONE

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4,4-DIMETHYL-1-{4-[4-(2-CHLOROPHENYL)PIPERAZINOACETYL]AMINOPHENYL}-1,4-DIHYDRO-3(2H)-ISOQUINOLINONE
SpectraBase Compound ID Ke7gcRuqjFb
InChI InChI=1S/C29H31ClN4O2/c1-29(2)23-8-4-3-7-22(23)27(32-28(29)36)20-11-13-21(14-12-20)31-26(35)19-33-15-17-34(18-16-33)25-10-6-5-9-24(25)30/h3-14,27H,15-19H2,1-2H3,(H,31,35)(H,32,36)
InChIKey WQVSPGOBTIQQDS-UHFFFAOYSA-N
Mol Weight 503.05 g/mol
Molecular Formula C29H31ClN4O2
Exact Mass 502.213554 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8aU24VwtRrt
Name 4,4-DIMETHYL-1-{4-[4-(2-CHLOROPHENYL)PIPERAZINOACETYL]AMINOPHENYL}-1,4-DIHYDRO-3(2H)-ISOQUINOLINONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C29H31ClN4O2
InChI InChI=1S/C29H31ClN4O2/c1-29(2)23-8-4-3-7-22(23)27(32-28(29)36)20-11-13-21(14-12-20)31-26(35)19-33-15-17-34(18-16-33)25-10-6-5-9-24(25)30/h3-14,27H,15-19H2,1-2H3,(H,31,35)(H,32,36)
InChIKey WQVSPGOBTIQQDS-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