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6-Chloro-2-(4-methoxyphenyl)-5-methyl-4H-[1,2,4]triazolo[1,5-A]pyrimidin-7-one
SpectraBase Compound ID FTHjAU0RqX2
InChI InChI=1S/C13H11ClN4O2/c1-7-10(14)12(19)18-13(15-7)16-11(17-18)8-3-5-9(20-2)6-4-8/h3-6H,1-2H3,(H,15,16,17)
InChIKey VDNXOZWAROUURV-UHFFFAOYSA-N
Mol Weight 290.71 g/mol
Molecular Formula C13H11ClN4O2
Exact Mass 290.057053 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 60r1y4KE9Hi
Name 6-Chloro-2-(4-methoxyphenyl)-5-methyl-4H-[1,2,4]triazolo[1,5-A]pyrimidin-7-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.057053308 u
Formula C13H11ClN4O2
InChI InChI=1S/C13H11ClN4O2/c1-7-10(14)12(19)18-13(15-7)16-11(17-18)8-3-5-9(20-2)6-4-8/h3-6H,1-2H3,(H,15,16,17)
InChIKey VDNXOZWAROUURV-UHFFFAOYSA-N
Molecular Weight 290.710 g/mol
SMILES COC1=CC=C(C=2N=C3N(C(=O)C(=C(N3)C)Cl)N2)C=C1