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3,7-dimethyl-1-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID AgoeSGf2n0F
InChI InChI=1S/C15H13F3N4O2/c1-20-8-19-12-11(20)13(23)22(14(24)21(12)2)7-9-4-3-5-10(6-9)15(16,17)18/h3-6,8H,7H2,1-2H3
InChIKey JBXVXIKWYBHSST-UHFFFAOYSA-N
Mol Weight 338.29 g/mol
Molecular Formula C15H13F3N4O2
Exact Mass 338.09906 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GOTxc0nh8r2
Name 3,7-dimethyl-1-[3-(trifluoromethyl)benzyl]-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 338.099060162 u
Formula C15H13F3N4O2
InChI InChI=1S/C15H13F3N4O2/c1-20-8-19-12-11(20)13(23)22(14(24)21(12)2)7-9-4-3-5-10(6-9)15(16,17)18/h3-6,8H,7H2,1-2H3
InChIKey JBXVXIKWYBHSST-UHFFFAOYSA-N
Molecular Weight 338.290 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_5258
Solvent DMSO-d6
Source Vendor ID: NMR/12318558