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7-(4-chlorobenzyl)-1,3-dimethyl-8-[(1-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID DoC7NUU7dWY
InChI InChI=1S/C22H21ClN4O2S/c1-14(16-7-5-4-6-8-16)30-21-24-19-18(20(28)26(3)22(29)25(19)2)27(21)13-15-9-11-17(23)12-10-15/h4-12,14H,13H2,1-3H3
InChIKey MJFCAKYNLHDGAY-UHFFFAOYSA-N
Mol Weight 440.95 g/mol
Molecular Formula C22H21ClN4O2S
Exact Mass 440.107375 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1ygEPJNDiv
Name 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(1-phenylethyl)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/C22H21ClN4O2S/c1-14(16-7-5-4-6-8-16)30-21-24-19-18(20(28)26(3)22(29)25(19)2)27(21)13-15-9-11-17(23)12-10-15/h4-12,14H,13H2,1-3H3
InChIKey MJFCAKYNLHDGAY-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20219
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: D16405; Labnumber: UZROM-3529; SBI_ID: SBI-020223
Temperature 315 °C