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1-(4-chlorobenzyl)-3,7-dimethyl-8-(pentylamino)-3,7-dihydro-1H-purine-2,6-dione

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1-(4-chlorobenzyl)-3,7-dimethyl-8-(pentylamino)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID KZd7YJJvPXO
InChI InChI=1S/C19H24ClN5O2/c1-4-5-6-11-21-18-22-16-15(23(18)2)17(26)25(19(27)24(16)3)12-13-7-9-14(20)10-8-13/h7-10H,4-6,11-12H2,1-3H3,(H,21,22)
InChIKey NHPPNWBVRPHFMC-UHFFFAOYSA-N
Mol Weight 389.89 g/mol
Molecular Formula C19H24ClN5O2
Exact Mass 389.161853 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1bZxC3DkgP0
Name 1-(4-chlorobenzyl)-3,7-dimethyl-8-(pentylamino)-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/C19H24ClN5O2/c1-4-5-6-11-21-18-22-16-15(23(18)2)17(26)25(19(27)24(16)3)12-13-7-9-14(20)10-8-13/h7-10H,4-6,11-12H2,1-3H3,(H,21,22)
InChIKey NHPPNWBVRPHFMC-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29043
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: D90854; Labnumber: LRP02-0817; SBI_ID: SBI-029047
Temperature 308 °C