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8-Bromanyl-1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]purine-2,6-dione
SpectraBase Compound ID GOHBBs7XsJX
InChI InChI=1S/C16H15BrN4O3/c1-9-4-6-10(7-5-9)11(22)8-21-12-13(18-15(21)17)19(2)16(24)20(3)14(12)23/h4-7H,8H2,1-3H3
InChIKey GPSUDZQXOHSXQT-UHFFFAOYSA-N
Mol Weight 391.23 g/mol
Molecular Formula C16H15BrN4O3
Exact Mass 390.032753 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FI3fulEzX8
Name 1H-purine-2,6-dione, 8-bromo-3,7-dihydro-1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.032753356 u
Formula C16H15BrN4O3
InChI InChI=1S/C16H15BrN4O3/c1-9-4-6-10(7-5-9)11(22)8-21-12-13(18-15(21)17)19(2)16(24)20(3)14(12)23/h4-7H,8H2,1-3H3
InChIKey GPSUDZQXOHSXQT-UHFFFAOYSA-N
Molecular Weight 391.225 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5543
Solvent DMSO-d6
Source Vendor ID: NMR/10220916; Lab Info: POV; Lab Number: POV-0800045