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benzothiazole, 2-[4-[4,6-di(4-morpholinyl)-1,3,5-triazin-2-yl]-1-piperazinyl]-6-nitro-
SpectraBase Compound ID Bc56Dn75RJM
InChI InChI=1S/C22H27N9O4S/c32-31(33)16-1-2-17-18(15-16)36-22(23-17)30-5-3-27(4-6-30)19-24-20(28-7-11-34-12-8-28)26-21(25-19)29-9-13-35-14-10-29/h1-2,15H,3-14H2
InChIKey QLJHMPJJLBLOJT-UHFFFAOYSA-N
Mol Weight 513.58 g/mol
Molecular Formula C22H27N9O4S
Exact Mass 513.190672 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6ABsCvGvia8
Name benzothiazole, 2-[4-[4,6-di(4-morpholinyl)-1,3,5-triazin-2-yl]-1-piperazinyl]-6-nitro-
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/C22H27N9O4S/c32-31(33)16-1-2-17-18(15-16)36-22(23-17)30-5-3-27(4-6-30)19-24-20(28-7-11-34-12-8-28)26-21(25-19)29-9-13-35-14-10-29/h1-2,15H,3-14H2
InChIKey QLJHMPJJLBLOJT-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5645
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/10210192; Labnumber: LP-0602032