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4-chloro-N-(6-chloro-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SpectraBase Compound ID 7fJqd6bhuk
InChI InChI=1S/C13H9Cl2N5O2/c1-6-9(15)11(22)20-13(16-6)18-12(19-20)17-10(21)7-2-4-8(14)5-3-7/h2-5H,1H3,(H2,16,17,18,19,21)
InChIKey IYXPLQNUOLRBJP-UHFFFAOYSA-N
Mol Weight 338.15 g/mol
Molecular Formula C13H9Cl2N5O2
Exact Mass 337.01333 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID RwNMf4B77U
Name 4-Chloro-N-(6-chloro-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-A]pyrimidin-2-yl)benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.013329948 u
Formula C13H9Cl2N5O2
InChI InChI=1S/C13H9Cl2N5O2/c1-6-9(15)11(22)20-13(16-6)18-12(19-20)17-10(21)7-2-4-8(14)5-3-7/h2-5H,1H3,(H2,16,17,18,19,21)
InChIKey IYXPLQNUOLRBJP-UHFFFAOYSA-N
Molecular Weight 338.154 g/mol
SMILES N(C1=NN2C(=N1)NC(=C(C2=O)Cl)C)C(C1=CC=C(C=C1)Cl)=O