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7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(4-methyl-1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 4Spdfhtg6rX
InChI InChI=1S/C22H26N6O2S2/c1-14-8-10-27(11-9-14)20-24-18-17(19(29)26(3)22(30)25(18)2)28(20)12-13-31-21-23-15-6-4-5-7-16(15)32-21/h4-7,14H,8-13H2,1-3H3
InChIKey REHPYIVGIVUCJW-UHFFFAOYSA-N
Mol Weight 470.61 g/mol
Molecular Formula C22H26N6O2S2
Exact Mass 470.155866 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KWO3OKUnFt6
Name 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(4-methyl-1-piperidinyl)-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/C22H26N6O2S2/c1-14-8-10-27(11-9-14)20-24-18-17(19(29)26(3)22(30)25(18)2)28(20)12-13-31-21-23-15-6-4-5-7-16(15)32-21/h4-7,14H,8-13H2,1-3H3
InChIKey REHPYIVGIVUCJW-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26825
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: D67353; Labnumber: UZ01F011-4181; SBI_ID: SBI-026829
Temperature 308 °C