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3-methyl-7-{2-methyl-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]propyl}-8-(4-methyl-1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID IYRxeXX7gES
InChI InChI=1S/C23H29N9O2S/c1-15-9-11-30(12-10-15)21-24-19-18(20(33)25-22(34)29(19)3)31(21)13-16(2)14-35-23-26-27-28-32(23)17-7-5-4-6-8-17/h4-8,15-16H,9-14H2,1-3H3,(H,25,33,34)
InChIKey UJTBNWQANRAKFT-UHFFFAOYSA-N
Mol Weight 495.61 g/mol
Molecular Formula C23H29N9O2S
Exact Mass 495.216492 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FFMbrkNxvuA
Name 3-methyl-7-{2-methyl-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]propyl}-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/C23H29N9O2S/c1-15-9-11-30(12-10-15)21-24-19-18(20(33)25-22(34)29(19)3)31(21)13-16(2)14-35-23-26-27-28-32(23)17-7-5-4-6-8-17/h4-8,15-16H,9-14H2,1-3H3,(H,25,33,34)
InChIKey UJTBNWQANRAKFT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22035
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: D58183; Labnumber: UZ01F011-4200; SBI_ID: SBI-022039
Temperature 318 °C