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8-(4-Fluoro-benzylsulfanyl)-7-isopropyl-1,3-dimethyl-3,7(1H)-dihydro-purine-2,6-dione

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8-(4-Fluoro-benzylsulfanyl)-7-isopropyl-1,3-dimethyl-3,7(1H)-dihydro-purine-2,6-dione
SpectraBase Compound ID AxTodp8OoW8
InChI InChI=1S/C17H19FN4O2S/c1-10(2)22-13-14(20(3)17(24)21(4)15(13)23)19-16(22)25-9-11-5-7-12(18)8-6-11/h5-8,10H,9H2,1-4H3
InChIKey OUXYWCSJZAKCTR-UHFFFAOYSA-N
Mol Weight 362.42 g/mol
Molecular Formula C17H19FN4O2S
Exact Mass 362.121275 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 86RwTf6sN2e
Name 1H-purine-2,6-dione, 8-[[(4-fluorophenyl)methyl]thio]-3,7-dihydro-1,3-dimethyl-7-(1-methylethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.121275203 u
Formula C17H19FN4O2S
InChI InChI=1S/C17H19FN4O2S/c1-10(2)22-13-14(20(3)17(24)21(4)15(13)23)19-16(22)25-9-11-5-7-12(18)8-6-11/h5-8,10H,9H2,1-4H3
InChIKey OUXYWCSJZAKCTR-UHFFFAOYSA-N
Molecular Weight 362.423 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7316
Solvent DMSO-d6
Source Vendor ID: NMR/10222841; Lab Info: SAD; Lab Number: SAD-DAS1461