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8-hexahydro-1H-azepin-1-yl-1,3-dimethyl-7-{2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID CjotTnmKrg9
InChI InChI=1S/C22H27N9O2S/c1-27-18-17(19(32)28(2)22(27)33)30(20(23-18)29-12-8-3-4-9-13-29)14-15-34-21-24-25-26-31(21)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3
InChIKey SCHOUZXECCBBPI-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 A6OXunPMZED
Name 8-hexahydro-1H-azepin-1-yl-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/C22H27N9O2S/c1-27-18-17(19(32)28(2)22(27)33)30(20(23-18)29-12-8-3-4-9-13-29)14-15-34-21-24-25-26-31(21)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3
InChIKey SCHOUZXECCBBPI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22060
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: D58211; Labnumber: UZ01F011-4256; SBI_ID: SBI-022064
Temperature 318 °C