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2,4-dichloro-N-(6-chloro-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SpectraBase Compound ID 9SKKUIak4D5
InChI InChI=1S/C13H8Cl3N5O2/c1-5-9(16)11(23)21-13(17-5)19-12(20-21)18-10(22)7-3-2-6(14)4-8(7)15/h2-4H,1H3,(H2,17,18,19,20,22)
InChIKey MONFYYPUOSWRQR-UHFFFAOYSA-N
Mol Weight 372.6 g/mol
Molecular Formula C13H8Cl3N5O2
Exact Mass 370.974358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BRTE3vDb6Pw
Name 2,4-Dichloro-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 370.974357616 u
Formula C13H8Cl3N5O2
InChI InChI=1S/C13H8Cl3N5O2/c1-5-9(16)11(23)21-13(17-5)19-12(20-21)18-10(22)7-3-2-6(14)4-8(7)15/h2-4H,1H3,(H2,17,18,19,20,22)
InChIKey MONFYYPUOSWRQR-UHFFFAOYSA-N
Molecular Weight 372.599 g/mol
SMILES N(C1=NN2C(=N1)NC(=C(C2=O)Cl)C)C(C1=C(C=C(C=C1)Cl)Cl)=O