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8-{[3-(1H-imidazol-1-yl)propyl]amino}-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 12udXxPqbPY
InChI InChI=1S/C21H25N7O2/c1-25-18-17(19(29)26(2)21(25)30)28(13-9-16-7-4-3-5-8-16)20(24-18)23-10-6-12-27-14-11-22-15-27/h3-5,7-8,11,14-15H,6,9-10,12-13H2,1-2H3,(H,23,24)
InChIKey WCFPYZHHIMIYJS-UHFFFAOYSA-N
Mol Weight 407.48 g/mol
Molecular Formula C21H25N7O2
Exact Mass 407.206973 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 31D7G5mu84N
Name 8-{[3-(1H-imidazol-1-yl)propyl]amino}-1,3-dimethyl-7-(2-phenylethyl)-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/C21H25N7O2/c1-25-18-17(19(29)26(2)21(25)30)28(13-9-16-7-4-3-5-8-16)20(24-18)23-10-6-12-27-14-11-22-15-27/h3-5,7-8,11,14-15H,6,9-10,12-13H2,1-2H3,(H,23,24)
InChIKey WCFPYZHHIMIYJS-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25265
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: D49611; Labnumber: UZROM-3994; SBI_ID: SBI-025269
Temperature 318 °C