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7-(4-chlorobenzyl)-8-{[2-(diethylamino)ethyl]amino}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID HrTRqdb6w03
InChI InChI=1S/C19H25ClN6O2/c1-4-25(5-2)11-10-21-18-22-16-15(17(27)23-19(28)24(16)3)26(18)12-13-6-8-14(20)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H,21,22)(H,23,27,28)
InChIKey XOSPCDATRDYJKN-UHFFFAOYSA-N
Mol Weight 404.9 g/mol
Molecular Formula C19H25ClN6O2
Exact Mass 404.172752 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ISej7scyQNj
Name 7-(4-chlorobenzyl)-8-{[2-(diethylamino)ethyl]amino}-3-methyl-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/C19H25ClN6O2/c1-4-25(5-2)11-10-21-18-22-16-15(17(27)23-19(28)24(16)3)26(18)12-13-6-8-14(20)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H,21,22)(H,23,27,28)
InChIKey XOSPCDATRDYJKN-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20156
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: D16322; Labnumber: UZROM-3426; SBI_ID: SBI-020160
Temperature 318 °C