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acetamide, 2-[[7-[(2-chlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]-N-(2-phenylethyl)-
SpectraBase Compound ID DaFUaalgDyJ
InChI InChI=1S/C24H24ClN5O3S/c1-28-21-20(22(32)29(2)24(28)33)30(14-17-10-6-7-11-18(17)25)23(27-21)34-15-19(31)26-13-12-16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3,(H,26,31)
InChIKey HHBRTAUGKMIQRQ-UHFFFAOYSA-N
Mol Weight 498.0 g/mol
Molecular Formula C24H24ClN5O3S
Exact Mass 497.128839 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KsZq8msJDVn
Name acetamide, 2-[[7-[(2-chlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]-N-(2-phenylethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 497.128838524 u
Formula C24H24ClN5O3S
InChI InChI=1S/C24H24ClN5O3S/c1-28-21-20(22(32)29(2)24(28)33)30(14-17-10-6-7-11-18(17)25)23(27-21)34-15-19(31)26-13-12-16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3,(H,26,31)
InChIKey HHBRTAUGKMIQRQ-UHFFFAOYSA-N
Molecular Weight 498.001 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17768
Solvent DMSO-d6
Source Vendor ID: NMR/11210032; Lab Info: SAD; Lab Number: 4