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2-(2-{4-[(4-methylphenyl)sulfonyl]-1-piperazinyl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
SpectraBase Compound ID IyCpY4DFXZi
InChI InChI=1S/C25H25N3O4S/c1-18-8-10-20(11-9-18)33(31,32)27-15-12-26(13-16-27)14-17-28-24(29)21-6-2-4-19-5-3-7-22(23(19)21)25(28)30/h2-11H,12-17H2,1H3
InChIKey ZDSYCQWYHSIULC-UHFFFAOYSA-N
Mol Weight 463.55 g/mol
Molecular Formula C25H25N3O4S
Exact Mass 463.156577 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 32nXrnGOWMl
Name 2-(2-{4-[(4-methylphenyl)sulfonyl]-1-piperazinyl}ethyl)-1H-benzo[de]isoquinoline-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/C25H25N3O4S/c1-18-8-10-20(11-9-18)33(31,32)27-15-12-26(13-16-27)14-17-28-24(29)21-6-2-4-19-5-3-7-22(23(19)21)25(28)30/h2-11H,12-17H2,1H3
InChIKey ZDSYCQWYHSIULC-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_2536
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: 111559; Labnumber: EX00112003; VK_ID: VK-002537
Temperature 308 °C