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8-(3,5-dimethyl-1-piperidinyl)-3-methyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID KF5st9lE6w5
InChI InChI=1S/C18H25N7O2S2/c1-10-7-11(2)9-24(8-10)16-19-14-13(15(26)20-17(27)23(14)4)25(16)5-6-28-18-22-21-12(3)29-18/h10-11H,5-9H2,1-4H3,(H,20,26,27)
InChIKey QHVSFWPACQAEFF-UHFFFAOYSA-N
Mol Weight 435.57 g/mol
Molecular Formula C18H25N7O2S2
Exact Mass 435.151115 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JJ8Oge7MCJU
Name 8-(3,5-dimethyl-1-piperidinyl)-3-methyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-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/C18H25N7O2S2/c1-10-7-11(2)9-24(8-10)16-19-14-13(15(26)20-17(27)23(14)4)25(16)5-6-28-18-22-21-12(3)29-18/h10-11H,5-9H2,1-4H3,(H,20,26,27)
InChIKey QHVSFWPACQAEFF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22058
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: D58209; Labnumber: UZ01F011-4254; SBI_ID: SBI-022062
Temperature 318 °C