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8-Chloro-1,3-dimethyl-7-(4-pyridinylmethyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID FIyOdw4DeTp
InChI InChI=1S/C13H12ClN5O2/c1-17-10-9(11(20)18(2)13(17)21)19(12(14)16-10)7-8-3-5-15-6-4-8/h3-6H,7H2,1-2H3
InChIKey RVRRJTJSTZTEPK-UHFFFAOYSA-N
Mol Weight 305.73 g/mol
Molecular Formula C13H12ClN5O2
Exact Mass 305.067952 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7dUq9husXEH
Name 1H-purine-2,6-dione, 8-chloro-3,7-dihydro-1,3-dimethyl-7-(4-pyridinylmethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 305.067952344 u
Formula C13H12ClN5O2
InChI InChI=1S/C13H12ClN5O2/c1-17-10-9(11(20)18(2)13(17)21)19(12(14)16-10)7-8-3-5-15-6-4-8/h3-6H,7H2,1-2H3
InChIKey RVRRJTJSTZTEPK-UHFFFAOYSA-N
Molecular Weight 305.725 g/mol
NMR Offset 16.1752
NMR Spectrometer Frequency 200.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3958
Solvent DMSO-d6
Source Vendor ID: NMR/9245238; Lab Info: SAD; Lab Number: SAD-0000487
Temperature 39.85 °C