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8-[benzyl(methyl)amino]-3-methyl-7-{2-methyl-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]propyl}-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 2uq8WlRUuEW
InChI InChI=1S/C25H27N9O2S/c1-17(16-37-25-28-29-30-34(25)19-12-8-5-9-13-19)14-33-20-21(32(3)24(36)27-22(20)35)26-23(33)31(2)15-18-10-6-4-7-11-18/h4-13,17H,14-16H2,1-3H3,(H,27,35,36)
InChIKey JLVNJYFXOCIDLX-UHFFFAOYSA-N
Mol Weight 517.61 g/mol
Molecular Formula C25H27N9O2S
Exact Mass 517.200842 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BpGf0vnr0bH
Name 8-[benzyl(methyl)amino]-3-methyl-7-{2-methyl-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]propyl}-3,7-dihydro-1H-purine-2,6-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/C25H27N9O2S/c1-17(16-37-25-28-29-30-34(25)19-12-8-5-9-13-19)14-33-20-21(32(3)24(36)27-22(20)35)26-23(33)31(2)15-18-10-6-4-7-11-18/h4-13,17H,14-16H2,1-3H3,(H,27,35,36)
InChIKey JLVNJYFXOCIDLX-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22033
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: D58180; Labnumber: UZ01F011-4197; SBI_ID: SBI-022037
Temperature 318 °C