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1,3-dimethyl-7-(4-methylbenzyl)-8-{[2-(1-piperidinyl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID KcrSiaZa4b6
InChI InChI=1S/C22H29N5O2S/c1-16-7-9-17(10-8-16)15-27-18-19(24(2)22(29)25(3)20(18)28)23-21(27)30-14-13-26-11-5-4-6-12-26/h7-10H,4-6,11-15H2,1-3H3
InChIKey WZFNMLSFEYKFES-UHFFFAOYSA-N
Mol Weight 427.57 g/mol
Molecular Formula C22H29N5O2S
Exact Mass 427.204196 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1B8ik9zhAm3
Name 1,3-dimethyl-7-(4-methylbenzyl)-8-{[2-(1-piperidinyl)ethyl]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/C22H29N5O2S/c1-16-7-9-17(10-8-16)15-27-18-19(24(2)22(29)25(3)20(18)28)23-21(27)30-14-13-26-11-5-4-6-12-26/h7-10H,4-6,11-15H2,1-3H3
InChIKey WZFNMLSFEYKFES-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18660
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: D35205; Labnumber: UZROM-3588; SBI_ID: SBI-018663
Temperature 308 °C