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1H-purine-2,6-dione, 3,7-dihydro-3-methyl-1-[(2-methylphenyl)methyl]-7-(phenylmethyl)-
SpectraBase Compound ID 6L2V08TsCmc
InChI InChI=1S/C21H20N4O2/c1-15-8-6-7-11-17(15)13-25-20(26)18-19(23(2)21(25)27)22-14-24(18)12-16-9-4-3-5-10-16/h3-11,14H,12-13H2,1-2H3
InChIKey LWWACQISHBYDAC-UHFFFAOYSA-N
Mol Weight 360.42 g/mol
Molecular Formula C21H20N4O2
Exact Mass 360.158626 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DQa6V7t02tT
Name 1H-purine-2,6-dione, 3,7-dihydro-3-methyl-1-[(2-methylphenyl)methyl]-7-(phenylmethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.158625898 u
Formula C21H20N4O2
InChI InChI=1S/C21H20N4O2/c1-15-8-6-7-11-17(15)13-25-20(26)18-19(23(2)21(25)27)22-14-24(18)12-16-9-4-3-5-10-16/h3-11,14H,12-13H2,1-2H3
InChIKey LWWACQISHBYDAC-UHFFFAOYSA-N
Molecular Weight 360.417 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10112
Solvent DMSO-d6
Source Vendor ID: ZI/10027201; Lab Info: SAD; Lab Number: SAD-EXC0037