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1H-purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-[[1-[2-(4-morpholinyl)-2-oxoethyl]-1H-benzimidazol-2-yl]thio]-
SpectraBase Compound ID RhIRkloPAX
InChI InChI=1S/C21H23N7O4S/c1-24-16-17(25(2)21(31)26(3)18(16)30)23-19(24)33-20-22-13-6-4-5-7-14(13)28(20)12-15(29)27-8-10-32-11-9-27/h4-7H,8-12H2,1-3H3
InChIKey SOJGVZBBNNGDOX-UHFFFAOYSA-N
Mol Weight 469.52 g/mol
Molecular Formula C21H23N7O4S
Exact Mass 469.153223 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 98mgCjtRlwP
Name 1H-purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-[[1-[2-(4-morpholinyl)-2-oxoethyl]-1H-benzimidazol-2-yl]thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 469.153223419 u
Formula C21H23N7O4S
InChI InChI=1S/C21H23N7O4S/c1-24-16-17(25(2)21(31)26(3)18(16)30)23-19(24)33-20-22-13-6-4-5-7-14(13)28(20)12-15(29)27-8-10-32-11-9-27/h4-7H,8-12H2,1-3H3
InChIKey SOJGVZBBNNGDOX-UHFFFAOYSA-N
Molecular Weight 469.520 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8328
Solvent DMSO-d6
Source Vendor ID: NMR/9321745; Lab Info: LP; Lab Number: LP-3701118