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7-benzyl-9-methyl-6-oxo-2-(piperidin-1-yl)-6,7-dihydro-1H-purin-9-ium 4-methylbenzenesulfonate

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7-benzyl-9-methyl-6-oxo-2-(piperidin-1-yl)-6,7-dihydro-1H-purin-9-ium 4-methylbenzenesulfonate
SpectraBase Compound ID 6HyTArF9GLC
InChI InChI=1S/C18H21N5O.C7H8O3S/c1-21-13-23(12-14-8-4-2-5-9-14)15-16(21)19-18(20-17(15)24)22-10-6-3-7-11-22;1-6-2-4-7(5-3-6)11(8,9)10/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3;2-5H,1H3,(H,8,9,10)
InChIKey QFCAMGZZSUNQJE-UHFFFAOYSA-N
Mol Weight 495.6 g/mol
Molecular Formula C25H29N5O4S
Exact Mass 495.194026 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6vZts6yLSdS
Name 7-benzyl-9-methyl-6-oxo-2-(piperidin-1-yl)-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/C18H21N5O.C7H8O3S/c1-21-13-23(12-14-8-4-2-5-9-14)15-16(21)19-18(20-17(15)24)22-10-6-3-7-11-22;1-6-2-4-7(5-3-6)11(8,9)10/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3;2-5H,1H3,(H,8,9,10)
InChIKey QFCAMGZZSUNQJE-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_5230
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-205/4069334; IOH_ID: IOH-012233