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8-[(6-aminohexyl)amino]-1-(2-chlorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 90HvcpW12Vi
InChI InChI=1S/C20H27ClN6O2/c1-25-16-17(24-19(25)23-12-8-4-3-7-11-22)26(2)20(29)27(18(16)28)13-14-9-5-6-10-15(14)21/h5-6,9-10H,3-4,7-8,11-13,22H2,1-2H3,(H,23,24)
InChIKey UBHOUDFFJAQFNK-UHFFFAOYSA-N
Mol Weight 418.93 g/mol
Molecular Formula C20H27ClN6O2
Exact Mass 418.188402 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 18X2YiHq1OP
Name 8-[(6-aminohexyl)amino]-1-(2-chlorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H27ClN6O2/c1-25-16-17(24-19(25)23-12-8-4-3-7-11-22)26(2)20(29)27(18(16)28)13-14-9-5-6-10-15(14)21/h5-6,9-10H,3-4,7-8,11-13,22H2,1-2H3,(H,23,24)
InChIKey UBHOUDFFJAQFNK-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3
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: 9525009; Labnumber: LRP-100; VK_ID: VK-000004
Temperature 308 °C