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8-(allylsulfanyl)-7-(2-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione

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8-(allylsulfanyl)-7-(2-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID EAvtk2xKLRK
InChI InChI=1S/C16H15ClN4O2S/c1-3-8-24-16-18-13-12(14(22)19-15(23)20(13)2)21(16)9-10-6-4-5-7-11(10)17/h3-7H,1,8-9H2,2H3,(H,19,22,23)
InChIKey FTQUYAYDTPGLRF-UHFFFAOYSA-N
Mol Weight 362.84 g/mol
Molecular Formula C16H15ClN4O2S
Exact Mass 362.060425 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3cMi1vDr9yc
Name 8-(allylsulfanyl)-7-(2-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C16H15ClN4O2S/c1-3-8-24-16-18-13-12(14(22)19-15(23)20(13)2)21(16)9-10-6-4-5-7-11(10)17/h3-7H,1,8-9H2,2H3,(H,19,22,23)
InChIKey FTQUYAYDTPGLRF-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_15816
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: 987/00002675; Labnumber: 987/00002675218832; VK_ID: VK-015821
Temperature 308 °C