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8-(hexylamino)-7-{4-[hydroxy(oxido)amino]benzyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID I5kUFIQjNSp
InChI InChI=1S/C20H27N6O4/c1-4-5-6-7-12-21-19-22-17-16(18(27)24(3)20(28)23(17)2)25(19)13-14-8-10-15(11-9-14)26(29)30/h8-11H,4-7,12-13H2,1-3H3,(H,21,22)(H,29,30)
InChIKey XWHDZRRMKLEAPC-UHFFFAOYSA-N
Mol Weight 415.47 g/mol
Molecular Formula C20H27N6O4
Exact Mass 415.209378 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FDnDqN58zcS
Name 8-(hexylamino)-7-{4-[hydroxy(oxido)amino]benzyl}-1,3-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/C20H27N6O4/c1-4-5-6-7-12-21-19-22-17-16(18(27)24(3)20(28)23(17)2)25(19)13-14-8-10-15(11-9-14)26(29)30/h8-11H,4-7,12-13H2,1-3H3,(H,21,22)(H,29,30)
InChIKey XWHDZRRMKLEAPC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9617
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: D55514; Labnumber: LRP02-0430; SBI_ID: SBI-009620
Temperature 318 °C