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2-{1-[4-(2-{[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}ethyl)-1-piperazinyl]ethylidene}-1H-indene-1,3(2H)-dione

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2-{1-[4-(2-{[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}ethyl)-1-piperazinyl]ethylidene}-1H-indene-1,3(2H)-dione
SpectraBase Compound ID 9TFYAAAq8F6
InChI InChI=1S/C27H33N3O4/c1-17(23-21(31)15-27(3,4)16-22(23)32)28-9-10-29-11-13-30(14-12-29)18(2)24-25(33)19-7-5-6-8-20(19)26(24)34/h5-8,28H,9-16H2,1-4H3
InChIKey JCADKBNMQROALD-UHFFFAOYSA-N
Mol Weight 463.6 g/mol
Molecular Formula C27H33N3O4
Exact Mass 463.247107 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3DWGMTrtp8C
Name 2-{1-[4-(2-{[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}ethyl)-1-piperazinyl]ethylidene}-1H-indene-1,3(2H)-dione
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/C27H33N3O4/c1-17(23-21(31)15-27(3,4)16-22(23)32)28-9-10-29-11-13-30(14-12-29)18(2)24-25(33)19-7-5-6-8-20(19)26(24)34/h5-8,28H,9-16H2,1-4H3
InChIKey JCADKBNMQROALD-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2995
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: UZI/8077791; UBI_ID: UBI-002996
Temperature 308 °C