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5-(4-chlorophenyl)-2-({[2-(4-isobutyryl-1-piperazinyl)ethyl]amino}methylene)-1,3-cyclohexanedione
SpectraBase Compound ID Lu87WReyLBL
InChI InChI=1S/C23H30ClN3O3/c1-16(2)23(30)27-11-9-26(10-12-27)8-7-25-15-20-21(28)13-18(14-22(20)29)17-3-5-19(24)6-4-17/h3-6,15-16,18,25H,7-14H2,1-2H3/b20-15-
InChIKey XEXHFLQCBVVPEB-HKWRFOASSA-N
Mol Weight 431.96 g/mol
Molecular Formula C23H30ClN3O3
Exact Mass 431.19757 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IREsTfFoSIa
Name 5-(4-chlorophenyl)-2-({[2-(4-isobutyryl-1-piperazinyl)ethyl]amino}methylene)-1,3-cyclohexanedione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C23H30ClN3O3/c1-16(2)23(30)27-11-9-26(10-12-27)8-7-25-15-20-21(28)13-18(14-22(20)29)17-3-5-19(24)6-4-17/h3-6,15-16,18,25H,7-14H2,1-2H3/b20-15-
InChIKey XEXHFLQCBVVPEB-HKWRFOASSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29085
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D91240; Labnumber: VGU-0022627; SBI_ID: SBI-029089
Temperature 318 °C