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7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-8-[benzyl(methyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID DewYw5IudaB
InChI InChI=1S/C23H23N7O2S/c1-28(14-15-8-4-3-5-9-15)22-26-19-18(20(31)27-23(32)29(19)2)30(22)12-13-33-21-24-16-10-6-7-11-17(16)25-21/h3-11H,12-14H2,1-2H3,(H,24,25)(H,27,31,32)
InChIKey YPIGDDSTJPFMGP-UHFFFAOYSA-N
Mol Weight 461.54 g/mol
Molecular Formula C23H23N7O2S
Exact Mass 461.163394 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AFsDpYYQ5xZ
Name 7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-8-[benzyl(methyl)amino]-3-methyl-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/C23H23N7O2S/c1-28(14-15-8-4-3-5-9-15)22-26-19-18(20(31)27-23(32)29(19)2)30(22)12-13-33-21-24-16-10-6-7-11-17(16)25-21/h3-11H,12-14H2,1-2H3,(H,24,25)(H,27,31,32)
InChIKey YPIGDDSTJPFMGP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8423
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: D51558; Labnumber: UZ01F011-2414; SBI_ID: SBI-008426
Temperature 318 °C