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

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7-(4-chlorobenzyl)-1,3-dimethyl-8-(phenylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID DS0yEuuJWIi
InChI InChI=1S/C20H17ClN4O2S/c1-23-17-16(18(26)24(2)20(23)27)25(12-13-8-10-14(21)11-9-13)19(22-17)28-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKey YQNWDIOTATYGQR-UHFFFAOYSA-N
Mol Weight 412.9 g/mol
Molecular Formula C20H17ClN4O2S
Exact Mass 412.076075 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2SChvcTorVj
Name 7-(4-chlorobenzyl)-1,3-dimethyl-8-(phenylsulfanyl)-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/C20H17ClN4O2S/c1-23-17-16(18(26)24(2)20(23)27)25(12-13-8-10-14(21)11-9-13)19(22-17)28-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKey YQNWDIOTATYGQR-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22042
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: D58193; Labnumber: UZ01F011-4221; SBI_ID: SBI-022046
Temperature 318 °C