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1H-purine-2,6-dione, 8-chloro-3,7-dihydro-1,3-dimethyl-7-[[3-(trifluoromethyl)phenyl]methyl]-
SpectraBase Compound ID D5D7rASCiru
InChI InChI=1S/C15H12ClF3N4O2/c1-21-11-10(12(24)22(2)14(21)25)23(13(16)20-11)7-8-4-3-5-9(6-8)15(17,18)19/h3-6H,7H2,1-2H3
InChIKey MQGTYRYMQRJMER-UHFFFAOYSA-N
Mol Weight 372.74 g/mol
Molecular Formula C15H12ClF3N4O2
Exact Mass 372.060088 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7GGmZN3mOBo
Name 1H-purine-2,6-dione, 8-chloro-3,7-dihydro-1,3-dimethyl-7-[[3-(trifluoromethyl)phenyl]methyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.060087829 u
Formula C15H12ClF3N4O2
InChI InChI=1S/C15H12ClF3N4O2/c1-21-11-10(12(24)22(2)14(21)25)23(13(16)20-11)7-8-4-3-5-9(6-8)15(17,18)19/h3-6H,7H2,1-2H3
InChIKey MQGTYRYMQRJMER-UHFFFAOYSA-N
Molecular Weight 372.735 g/mol
NMR Offset 16.1752
NMR Spectrometer Frequency 200.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8154
Solvent DMSO-d6
Source Vendor ID: NMR/9245202; Lab Info: SAD; Lab Number: SAD-0000438
Temperature 39.85 °C