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7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2-phenoxyethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID K4VwRZ7FKiV
InChI InChI=1S/C22H21ClN4O3S/c1-25-19-18(20(28)26(2)22(25)29)27(14-15-8-10-16(23)11-9-15)21(24-19)31-13-12-30-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3
InChIKey AAVHWLZNCBVWAB-UHFFFAOYSA-N
Mol Weight 456.95 g/mol
Molecular Formula C22H21ClN4O3S
Exact Mass 456.102289 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4wrDegiTWkZ
Name 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2-phenoxyethyl)sulfanyl]-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/C22H21ClN4O3S/c1-25-19-18(20(28)26(2)22(25)29)27(14-15-8-10-16(23)11-9-15)21(24-19)31-13-12-30-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3
InChIKey AAVHWLZNCBVWAB-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20221
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: D16407; Labnumber: UZROM-3531; SBI_ID: SBI-020225
Temperature 315 °C