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

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8-(butylamino)-7-(4-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID BvBQSY4KeMb
InChI InChI=1S/C18H22ClN5O2/c1-4-5-10-20-17-21-15-14(16(25)23(3)18(26)22(15)2)24(17)11-12-6-8-13(19)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,20,21)
InChIKey WRFZSFIOQVKSCW-UHFFFAOYSA-N
Mol Weight 375.86 g/mol
Molecular Formula C18H22ClN5O2
Exact Mass 375.146203 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B7bUrTjjKAl
Name 8-(butylamino)-7-(4-chlorobenzyl)-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/C18H22ClN5O2/c1-4-5-10-20-17-21-15-14(16(25)23(3)18(26)22(15)2)24(17)11-12-6-8-13(19)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,20,21)
InChIKey WRFZSFIOQVKSCW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20178
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: D16354; Labnumber: UZROM-3467; SBI_ID: SBI-020182
Temperature 318 °C