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1-(2-Benzoyl-4-chloro-phenyl)-3,9-dihydro-purine-2,6-dione

View entire compound with spectra: 1 NMR

1-(2-Benzoyl-4-chloro-phenyl)-3,9-dihydro-purine-2,6-dione
SpectraBase Compound ID FDXdJBCPUnx
InChI InChI=1S/C18H11ClN4O3/c19-11-6-7-13(12(8-11)15(24)10-4-2-1-3-5-10)23-17(25)14-16(21-9-20-14)22-18(23)26/h1-9H,(H,20,21)(H,22,26)
InChIKey OHGZZGANBFAELO-UHFFFAOYSA-N
Mol Weight 366.76 g/mol
Molecular Formula C18H11ClN4O3
Exact Mass 366.051968 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LTTW0xpz1pF
Name 1-(2-Benzoyl-4-chloro-phenyl)-3,9-dihydro-purine-2,6-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.051967927 u
Formula C18H11ClN4O3
InChI InChI=1S/C18H11ClN4O3/c19-11-6-7-13(12(8-11)15(24)10-4-2-1-3-5-10)23-17(25)14-16(21-9-20-14)22-18(23)26/h1-9H,(H,20,21)(H,22,26)
InChIKey OHGZZGANBFAELO-UHFFFAOYSA-N
Molecular Weight 366.764 g/mol
SMILES C1(N(C(C2=C(N1)NC=N2)=O)C1=C(C(=O)C2=CC=CC=C2)C=C(C=C1)Cl)=O