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8-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione

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8-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID FGykZzVBRH9
InChI InChI=1S/C21H17N5O2S2/c1-12-7-9-13(10-8-12)11-26-16-17(25(2)19(28)24-18(16)27)23-20(26)30-21-22-14-5-3-4-6-15(14)29-21/h3-10H,11H2,1-2H3,(H,24,27,28)
InChIKey AGBCGWZNIDJFPL-UHFFFAOYSA-N
Mol Weight 435.52 g/mol
Molecular Formula C21H17N5O2S2
Exact Mass 435.082367 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7ljRvKZVTj3
Name 8-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-7-(4-methylbenzyl)-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/C21H17N5O2S2/c1-12-7-9-13(10-8-12)11-26-16-17(25(2)19(28)24-18(16)27)23-20(26)30-21-22-14-5-3-4-6-15(14)29-21/h3-10H,11H2,1-2H3,(H,24,27,28)
InChIKey AGBCGWZNIDJFPL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22036
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: D58184; Labnumber: UZ01F011-4201; SBI_ID: SBI-022040
Temperature 318 °C