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

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7-(4-chlorobenzyl)-8-(isobutylsulfanyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 8XLteCPEJIe
InChI InChI=1S/C18H21ClN4O2S/c1-11(2)10-26-17-20-15-14(16(24)22(4)18(25)21(15)3)23(17)9-12-5-7-13(19)8-6-12/h5-8,11H,9-10H2,1-4H3
InChIKey OXEUSGKYASOZDF-UHFFFAOYSA-N
Mol Weight 392.91 g/mol
Molecular Formula C18H21ClN4O2S
Exact Mass 392.107375 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7c1q7vKLu9z
Name 7-(4-chlorobenzyl)-8-(isobutylsulfanyl)-1,3-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/C18H21ClN4O2S/c1-11(2)10-26-17-20-15-14(16(24)22(4)18(25)21(15)3)23(17)9-12-5-7-13(19)8-6-12/h5-8,11H,9-10H2,1-4H3
InChIKey OXEUSGKYASOZDF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20212
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: D16397; Labnumber: UZROM-3519; SBI_ID: SBI-020216
Temperature 318 °C