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

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1-(2-chlorobenzyl)-8-(hexylamino)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 9TFOcz8zhNy
InChI InChI=1S/C20H26ClN5O2/c1-4-5-6-9-12-22-19-23-17-16(24(19)2)18(27)26(20(28)25(17)3)13-14-10-7-8-11-15(14)21/h7-8,10-11H,4-6,9,12-13H2,1-3H3,(H,22,23)
InChIKey HCXMKSFROMKYGG-UHFFFAOYSA-N
Mol Weight 403.91 g/mol
Molecular Formula C20H26ClN5O2
Exact Mass 403.177503 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A4TRIygkL5r
Name 1-(2-chlorobenzyl)-8-(hexylamino)-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/C20H26ClN5O2/c1-4-5-6-9-12-22-19-23-17-16(24(19)2)18(27)26(20(28)25(17)3)13-14-10-7-8-11-15(14)21/h7-8,10-11H,4-6,9,12-13H2,1-3H3,(H,22,23)
InChIKey HCXMKSFROMKYGG-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29049
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: D90862; Labnumber: LRP02-0887; SBI_ID: SBI-029053
Temperature 308 °C