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3,6-Dihydro-3-(4-chlorophenyl)-6-phenyl-5-(4-chlorophenoxy)-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one

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3,6-Dihydro-3-(4-chlorophenyl)-6-phenyl-5-(4-chlorophenoxy)-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one
SpectraBase Compound ID GdRQycEQyLm
InChI InChI=1S/C22H13Cl2N5O2/c23-14-6-10-17(11-7-14)29-20-19(26-27-29)21(30)28(16-4-2-1-3-5-16)22(25-20)31-18-12-8-15(24)9-13-18/h1-13H
InChIKey BSDXCPDVHZPXAL-UHFFFAOYSA-N
Mol Weight 450.29 g/mol
Molecular Formula C22H13Cl2N5O2
Exact Mass 449.04463 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ha1Dm95aVnE
Name 3,6-Dihydro-3-(4-chlorophenyl)-6-phenyl-5-(4-chlorophenoxy)-7H-1,2,3-triazolo[4,5-D]pyrimidin-7-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 449.044630077 u
Formula C22H13Cl2N5O2
InChI InChI=1S/C22H13Cl2N5O2/c23-14-6-10-17(11-7-14)29-20-19(26-27-29)21(30)28(16-4-2-1-3-5-16)22(25-20)31-18-12-8-15(24)9-13-18/h1-13H
InChIKey BSDXCPDVHZPXAL-UHFFFAOYSA-N
Molecular Weight 450.285 g/mol
SMILES C1(=NC2=C(C(N1C=1C=CC=CC1)=O)N=NN2C=1C=CC(=CC1)Cl)OC=1C=CC(=CC1)Cl