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7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 5oSqgalws0M
InChI InChI=1S/C14H12ClFN4O2S/c1-18-11-10(12(21)19(2)14(18)22)20(13(23)17-11)6-7-8(15)4-3-5-9(7)16/h3-5H,6H2,1-2H3,(H,17,23)
InChIKey FEYOWZMZRUEWLN-UHFFFAOYSA-N
Mol Weight 354.79 g/mol
Molecular Formula C14H12ClFN4O2S
Exact Mass 354.035353 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Dj8mU3l3ltv
Name 7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.035352677 u
Formula C14H12ClFN4O2S
InChI InChI=1S/C14H12ClFN4O2S/c1-18-11-10(12(21)19(2)14(18)22)20(13(23)17-11)6-7-8(15)4-3-5-9(7)16/h3-5H,6H2,1-2H3,(H,17,23)
InChIKey FEYOWZMZRUEWLN-UHFFFAOYSA-N
Molecular Weight 354.787 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_964
Solvent DMSO-d6
Source Vendor ID: NMR/12269011