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

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8-(cyclopentylamino)-3,7-dimethyl-1-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID DAFwHDgYYyB
InChI InChI=1S/C19H22N6O4/c1-22-15-16(21-18(22)20-13-5-3-4-6-13)23(2)19(27)24(17(15)26)11-12-7-9-14(10-8-12)25(28)29/h7-10,13H,3-6,11H2,1-2H3,(H,20,21)
InChIKey IYFGYGVFJINCKI-UHFFFAOYSA-N
Mol Weight 398.42 g/mol
Molecular Formula C19H22N6O4
Exact Mass 398.170253 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DWb1tsv38ZL
Name 8-(cyclopentylamino)-3,7-dimethyl-1-(4-nitrobenzyl)-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/C19H22N6O4/c1-22-15-16(21-18(22)20-13-5-3-4-6-13)23(2)19(27)24(17(15)26)11-12-7-9-14(10-8-12)25(28)29/h7-10,13H,3-6,11H2,1-2H3,(H,20,21)
InChIKey IYFGYGVFJINCKI-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4597
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: E09576; Labnumber: LRP02-1326; SBI_ID: SBI-004599
Temperature 308 °C