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8-bromo-1,3-dimethyl-7-{2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 7RVnQ2pIgAE
InChI InChI=1S/C16H15BrN8O2S/c1-22-12-11(13(26)23(2)16(22)27)24(14(17)18-12)8-9-28-15-19-20-21-25(15)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKey CXFCEZMOUCJHSN-UHFFFAOYSA-N
Mol Weight 463.31 g/mol
Molecular Formula C16H15BrN8O2S
Exact Mass 462.022206 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9uyB96cuJen
Name 8-bromo-1,3-dimethyl-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/C16H15BrN8O2S/c1-22-12-11(13(26)23(2)16(22)27)24(14(17)18-12)8-9-28-15-19-20-21-25(15)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKey CXFCEZMOUCJHSN-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8892
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: D38768; Labnumber: UZ01F011-2419; SBI_ID: SBI-008895
Temperature 308 °C