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7-benzyl-9-methyl-2-morpholino-6-oxo-6,7-dihydro-1H-purin-9-ium 4-methylbenzenesulfonate

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7-benzyl-9-methyl-2-morpholino-6-oxo-6,7-dihydro-1H-purin-9-ium 4-methylbenzenesulfonate
SpectraBase Compound ID 3Z0RM6qRVG6
InChI InChI=1S/C17H19N5O2.C7H8O3S/c1-20-12-22(11-13-5-3-2-4-6-13)14-15(20)18-17(19-16(14)23)21-7-9-24-10-8-21;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,12H,7-11H2,1H3;2-5H,1H3,(H,8,9,10)
InChIKey HKILQBPKKUFQFN-UHFFFAOYSA-N
Mol Weight 497.57 g/mol
Molecular Formula C24H27N5O5S
Exact Mass 497.17329 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6OPSnKPyIft
Name 7-benzyl-9-methyl-2-morpholino-6-oxo-6,7-dihydro-1H-purin-9-ium 4-methylbenzenesulfonate
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/C17H19N5O2.C7H8O3S/c1-20-12-22(11-13-5-3-2-4-6-13)14-15(20)18-17(19-16(14)23)21-7-9-24-10-8-21;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,12H,7-11H2,1H3;2-5H,1H3,(H,8,9,10)
InChIKey HKILQBPKKUFQFN-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_5231
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: AG-205/4069335; IOH_ID: IOH-012234