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

View entire compound with spectra: 1 NMR

7-(4-chlorobenzyl)-8-(ethylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID EXO2IJRCrfX
InChI InChI=1S/C16H18ClN5O2/c1-4-18-15-19-13-12(14(23)21(3)16(24)20(13)2)22(15)9-10-5-7-11(17)8-6-10/h5-8H,4,9H2,1-3H3,(H,18,19)
InChIKey IUHAZHCBFYWDDG-UHFFFAOYSA-N
Mol Weight 347.81 g/mol
Molecular Formula C16H18ClN5O2
Exact Mass 347.114903 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FJEGdWA2tmV
Name 7-(4-chlorobenzyl)-8-(ethylamino)-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/C16H18ClN5O2/c1-4-18-15-19-13-12(14(23)21(3)16(24)20(13)2)22(15)9-10-5-7-11(17)8-6-10/h5-8H,4,9H2,1-3H3,(H,18,19)
InChIKey IUHAZHCBFYWDDG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20174
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: D16350; Labnumber: UZROM-3463; SBI_ID: SBI-020178
Temperature 318 °C