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acetamide, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-[(7-ethyl-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)thio]-
SpectraBase Compound ID JnIaFIPsciX
InChI InChI=1S/C22H25N7O4S/c1-6-28-17-18(25(3)22(33)26(4)20(17)32)24-21(28)34-12-15(30)23-16-13(2)27(5)29(19(16)31)14-10-8-7-9-11-14/h7-11H,6,12H2,1-5H3,(H,23,30)
InChIKey DKEGLNNQRSERFN-UHFFFAOYSA-N
Mol Weight 483.55 g/mol
Molecular Formula C22H25N7O4S
Exact Mass 483.168873 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EWUOyhWcPBB
Name acetamide, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-[(7-ethyl-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-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 483.168873483 u
Formula C22H25N7O4S
InChI InChI=1S/C22H25N7O4S/c1-6-28-17-18(25(3)22(33)26(4)20(17)32)24-21(28)34-12-15(30)23-16-13(2)27(5)29(19(16)31)14-10-8-7-9-11-14/h7-11H,6,12H2,1-5H3,(H,23,30)
InChIKey DKEGLNNQRSERFN-UHFFFAOYSA-N
Molecular Weight 483.547 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6568
Solvent DMSO-d6
Source Vendor ID: NMR/9244697; Lab Info: LP; Lab Number: LP-3701014