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8-(3,5-dimethyl-1-piperidinyl)-3-methyl-7-{2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione

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8-(3,5-dimethyl-1-piperidinyl)-3-methyl-7-{2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID CX7Vy44Lbgf
InChI InChI=1S/C22H27N9O2S/c1-14-11-15(2)13-29(12-14)20-23-18-17(19(32)24-21(33)28(18)3)30(20)9-10-34-22-25-26-27-31(22)16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3,(H,24,32,33)
InChIKey RMMPOPAAZNBXRM-UHFFFAOYSA-N
Mol Weight 481.58 g/mol
Molecular Formula C22H27N9O2S
Exact Mass 481.200842 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1nqICtbrLWh
Name 8-(3,5-dimethyl-1-piperidinyl)-3-methyl-7-{2-[(1-phenyl-1H-tetraazol-5-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/C22H27N9O2S/c1-14-11-15(2)13-29(12-14)20-23-18-17(19(32)24-21(33)28(18)3)30(20)9-10-34-22-25-26-27-31(22)16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3,(H,24,32,33)
InChIKey RMMPOPAAZNBXRM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22050
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: D58201; Labnumber: UZ01F011-4246; SBI_ID: SBI-022054
Temperature 318 °C