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

View entire compound with spectra: 1 NMR

1-(2-chlorobenzyl)-8-(ethylsulfanyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 3xVQOvjZTBn
InChI InChI=1S/C16H17ClN4O2S/c1-4-24-15-18-13-12(19(15)2)14(22)21(16(23)20(13)3)9-10-7-5-6-8-11(10)17/h5-8H,4,9H2,1-3H3
InChIKey PZFNCDONVRVRQB-UHFFFAOYSA-N
Mol Weight 364.85 g/mol
Molecular Formula C16H17ClN4O2S
Exact Mass 364.076075 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1C9wXcjGVAe
Name 1-(2-chlorobenzyl)-8-(ethylsulfanyl)-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/C16H17ClN4O2S/c1-4-24-15-18-13-12(19(15)2)14(22)21(16(23)20(13)3)9-10-7-5-6-8-11(10)17/h5-8H,4,9H2,1-3H3
InChIKey PZFNCDONVRVRQB-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6150
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: NMR/11242389; Labnumber: SAD-0003046; IOH_ID: IOH-006151