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8-{[2-(dimethylamino)ethyl]amino}-3-methyl-7-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID FJzlAd1k0RJ
InChI InChI=1S/C17H21N7O4/c1-21(2)9-8-18-16-19-14-13(15(25)20-17(26)22(14)3)23(16)10-11-4-6-12(7-5-11)24(27)28/h4-7H,8-10H2,1-3H3,(H,18,19)(H,20,25,26)
InChIKey ANPPPPYNAUALDW-UHFFFAOYSA-N
Mol Weight 387.4 g/mol
Molecular Formula C17H21N7O4
Exact Mass 387.165502 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H7UrbfG4tct
Name 8-{[2-(dimethylamino)ethyl]amino}-3-methyl-7-(4-nitrobenzyl)-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/C17H21N7O4/c1-21(2)9-8-18-16-19-14-13(15(25)20-17(26)22(14)3)23(16)10-11-4-6-12(7-5-11)24(27)28/h4-7H,8-10H2,1-3H3,(H,18,19)(H,20,25,26)
InChIKey ANPPPPYNAUALDW-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25057
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: D49474; Labnumber: UZROM-3809; SBI_ID: SBI-025061
Temperature 308 °C