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7-(2,4-Dichloro-benzyl)-8-hydroxy-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
SpectraBase Compound ID 43olXpCdJUE
InChI InChI=1S/C14H12Cl2N4O3/c1-18-11-10(12(21)19(2)14(18)23)20(13(22)17-11)6-7-3-4-8(15)5-9(7)16/h3-5H,6H2,1-2H3,(H,17,22)
InChIKey SJBMGAWFKNPLNJ-UHFFFAOYSA-N
Mol Weight 355.18 g/mol
Molecular Formula C14H12Cl2N4O3
Exact Mass 354.028646 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CmjPmQxf88s
Name 1H-purine-2,6-dione, 7-[(2,4-dichlorophenyl)methyl]-3,7-dihydro-8-hydroxy-1,3-dimethyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.028645659 u
Formula C14H12Cl2N4O3
InChI InChI=1S/C14H12Cl2N4O3/c1-18-11-10(12(21)19(2)14(18)23)20(13(22)17-11)6-7-3-4-8(15)5-9(7)16/h3-5H,6H2,1-2H3,(H,17,22)
InChIKey SJBMGAWFKNPLNJ-UHFFFAOYSA-N
Molecular Weight 355.181 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11931
Solvent DMSO-d6
Source Vendor ID: NMR/10241090; Lab Info: SAD; Lab Number: SAD-0001672
Temperature 29.85 °C