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1,3-cyclohexanedione, 5-(4-chlorophenyl)-2-[[[2-[4-(1-oxopropyl)-1-piperazinyl]ethyl]amino]methylene]-
SpectraBase Compound ID FoctTPsgCOY
InChI InChI=1S/C22H28ClN3O3/c1-2-22(29)26-11-9-25(10-12-26)8-7-24-15-19-20(27)13-17(14-21(19)28)16-3-5-18(23)6-4-16/h3-6,15,17,24H,2,7-14H2,1H3/b19-15-
InChIKey CQCWBOJXKAAHNV-CYVLTUHYSA-N
Mol Weight 417.94 g/mol
Molecular Formula C22H28ClN3O3
Exact Mass 417.181919 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DMWk2jXO4Yx
Name 1,3-cyclohexanedione, 5-(4-chlorophenyl)-2-[[[2-[4-(1-oxopropyl)-1-piperazinyl]ethyl]amino]methylene]-
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/C22H28ClN3O3/c1-2-22(29)26-11-9-25(10-12-26)8-7-24-15-19-20(27)13-17(14-21(19)28)16-3-5-18(23)6-4-16/h3-6,15,17,24H,2,7-14H2,1H3/b19-15-
InChIKey CQCWBOJXKAAHNV-CYVLTUHYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_168
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: NMR/11249875