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1-(3-chlorobenzyl)-8-[(3-isopropoxypropyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 82by4UDZ0wJ
InChI InChI=1S/C20H26ClN5O3/c1-13(2)29-10-6-9-22-19-23-17-16(24(19)3)18(27)26(20(28)25(17)4)12-14-7-5-8-15(21)11-14/h5,7-8,11,13H,6,9-10,12H2,1-4H3,(H,22,23)
InChIKey VWSMWFZQXLBSTL-UHFFFAOYSA-N
Mol Weight 419.91 g/mol
Molecular Formula C20H26ClN5O3
Exact Mass 419.172417 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HxzwC6YmL4p
Name 1-(3-chlorobenzyl)-8-[(3-isopropoxypropyl)amino]-3,7-dimethyl-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/C20H26ClN5O3/c1-13(2)29-10-6-9-22-19-23-17-16(24(19)3)18(27)26(20(28)25(17)4)12-14-7-5-8-15(21)11-14/h5,7-8,11,13H,6,9-10,12H2,1-4H3,(H,22,23)
InChIKey VWSMWFZQXLBSTL-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29051
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: D90864; Labnumber: LRP02-0988; SBI_ID: SBI-029055
Temperature 308 °C