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8-(2-Chloro-4-fluoro-benzylsulfanyl)-1,3-dimethyl-7-octyl-3,7-dihydro-purine-2,6-dione

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8-(2-Chloro-4-fluoro-benzylsulfanyl)-1,3-dimethyl-7-octyl-3,7-dihydro-purine-2,6-dione
SpectraBase Compound ID HrVmpWafEqG
InChI InChI=1S/C22H28ClFN4O2S/c1-4-5-6-7-8-9-12-28-18-19(26(2)22(30)27(3)20(18)29)25-21(28)31-14-15-10-11-16(24)13-17(15)23/h10-11,13H,4-9,12,14H2,1-3H3
InChIKey SBDQPXCXROYHLJ-UHFFFAOYSA-N
Mol Weight 467.0 g/mol
Molecular Formula C22H28ClFN4O2S
Exact Mass 466.160553 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID lUS2zH4KSd
Name 1H-purine-2,6-dione, 8-[[(2-chloro-4-fluorophenyl)methyl]thio]-3,7-dihydro-1,3-dimethyl-7-octyl-
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/C22H28ClFN4O2S/c1-4-5-6-7-8-9-12-28-18-19(26(2)22(30)27(3)20(18)29)25-21(28)31-14-15-10-11-16(24)13-17(15)23/h10-11,13H,4-9,12,14H2,1-3H3
InChIKey SBDQPXCXROYHLJ-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_2597
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: NMR/10222893; Labnumber: SAD-DAS1520