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1H-purine-2,6-dione, 8-[(1,3-benzodioxol-5-ylmethyl)amino]-3,7-dihydro-1,3-dimethyl-7-(phenylmethyl)-
SpectraBase Compound ID CHfqgwOpX7I
InChI InChI=1S/C22H21N5O4/c1-25-19-18(20(28)26(2)22(25)29)27(12-14-6-4-3-5-7-14)21(24-19)23-11-15-8-9-16-17(10-15)31-13-30-16/h3-10H,11-13H2,1-2H3,(H,23,24)
InChIKey GHJFTIDFLQFAPL-UHFFFAOYSA-N
Mol Weight 419.44 g/mol
Molecular Formula C22H21N5O4
Exact Mass 419.159354 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ag2YVBhR8FB
Name 1H-purine-2,6-dione, 8-[(1,3-benzodioxol-5-ylmethyl)amino]-3,7-dihydro-1,3-dimethyl-7-(phenylmethyl)-
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/C22H21N5O4/c1-25-19-18(20(28)26(2)22(25)29)27(12-14-6-4-3-5-7-14)21(24-19)23-11-15-8-9-16-17(10-15)31-13-30-16/h3-10H,11-13H2,1-2H3,(H,23,24)
InChIKey GHJFTIDFLQFAPL-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_3001
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/10218790