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7-benzyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 53jMMfRvRzh
InChI InChI=1S/C13H12N4O2/c1-16-11-10(12(18)15-13(16)19)17(8-14-11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,18,19)
InChIKey NGGPQVDOOZWSIG-UHFFFAOYSA-N
Mol Weight 256.26 g/mol
Molecular Formula C13H12N4O2
Exact Mass 256.096026 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ap9UCvoAccf
Name 7-benzyl-3-methyl-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 256.096025640 u
Formula C13H12N4O2
InChI InChI=1S/C13H12N4O2/c1-16-11-10(12(18)15-13(16)19)17(8-14-11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,18,19)
InChIKey NGGPQVDOOZWSIG-UHFFFAOYSA-N
Molecular Weight 256.265 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_4971
Solvent DMSO-d6
Source Vendor ID: NMR/12266926; Lab Info: KCP-0000171; Lab Number: KCP