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1H-purine-2,6-dione, 8-chloro-7-[(2-chloro-4-fluorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-
SpectraBase Compound ID 4AFkTYMJyVo
InChI InChI=1S/C14H11Cl2FN4O2/c1-19-11-10(12(22)20(2)14(19)23)21(13(16)18-11)6-7-3-4-8(17)5-9(7)15/h3-5H,6H2,1-2H3
InChIKey QXGVKBCEQRQBFW-UHFFFAOYSA-N
Mol Weight 357.17 g/mol
Molecular Formula C14H11Cl2FN4O2
Exact Mass 356.024309 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HODytXALScV
Name 1H-purine-2,6-dione, 8-chloro-7-[(2-chloro-4-fluorophenyl)methyl]-3,7-dihydro-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 356.024309171 u
Formula C14H11Cl2FN4O2
InChI InChI=1S/C14H11Cl2FN4O2/c1-19-11-10(12(22)20(2)14(19)23)21(13(16)18-11)6-7-3-4-8(17)5-9(7)15/h3-5H,6H2,1-2H3
InChIKey QXGVKBCEQRQBFW-UHFFFAOYSA-N
Molecular Weight 357.172 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5677
Solvent DMSO-d6
Source Vendor ID: NMR/9245210; Lab Info: SAD; Lab Number: SAD-0000450