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8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID J2BubD18tlZ
InChI InChI=1S/C20H23N7O3/c1-25-17-16(18(28)24-20(25)29)27(12-13-30-15-6-3-2-4-7-15)19(23-17)22-8-5-10-26-11-9-21-14-26/h2-4,6-7,9,11,14H,5,8,10,12-13H2,1H3,(H,22,23)(H,24,28,29)
InChIKey AZYYVCWBPKIMLE-UHFFFAOYSA-N
Mol Weight 409.45 g/mol
Molecular Formula C20H23N7O3
Exact Mass 409.186238 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IWfmNKRojxc
Name 8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-7-(2-phenoxyethyl)-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/C20H23N7O3/c1-25-17-16(18(28)24-20(25)29)27(12-13-30-15-6-3-2-4-7-15)19(23-17)22-8-5-10-26-11-9-21-14-26/h2-4,6-7,9,11,14H,5,8,10,12-13H2,1H3,(H,22,23)(H,24,28,29)
InChIKey AZYYVCWBPKIMLE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25227
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: D49568; Labnumber: UZROM-3938; SBI_ID: SBI-025231
Temperature 318 °C