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8-{[(1-benzyl-1H-benzimidazol-2-yl)methyl]sulfanyl}-9H-purin-6-amine
SpectraBase Compound ID 5My3wmYzBEb
InChI InChI=1S/C20H17N7S/c21-18-17-19(23-12-22-18)26-20(25-17)28-11-16-24-14-8-4-5-9-15(14)27(16)10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H3,21,22,23,25,26)
InChIKey PFRQOJDBPCMJTC-UHFFFAOYSA-N
Mol Weight 387.47 g/mol
Molecular Formula C20H17N7S
Exact Mass 387.126615 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 63DIbhzXiRl
Name 8-{[(1-benzyl-1H-benzimidazol-2-yl)methyl]sulfanyl}-9H-purin-6-amine
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/C20H17N7S/c21-18-17-19(23-12-22-18)26-20(25-17)28-11-16-24-14-8-4-5-9-15(14)27(16)10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H3,21,22,23,25,26)
InChIKey PFRQOJDBPCMJTC-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_3306
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/10211794; Labnumber: JSA-0000092
Temperature 297 °C