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5-Chloranyl-2-methyl-4-phenyl-1,2,4-triazol-3-one
SpectraBase Compound ID 2K4TZdn4TZo
InChI InChI=1S/C9H8ClN3O/c1-12-9(14)13(8(10)11-12)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey AYXDDSTZPWUOPC-UHFFFAOYSA-N
Mol Weight 209.64 g/mol
Molecular Formula C9H8ClN3O
Exact Mass 209.03559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9D2OgDDFTta
Name 5-Chloranyl-2-methyl-4-phenyl-1,2,4-triazol-3-one
CAS Registry Number 118631-34-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8ClN3O
InChI InChI=1S/C9H8ClN3O/c1-12-9(14)13(8(10)11-12)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey AYXDDSTZPWUOPC-UHFFFAOYSA-N
Molecular Weight 209.636 g/mol
SMILES C=1(N(C(N(N1)C)=O)c1ccccc1)Cl
SPLASH splash10-0ar0-8490000000-586d0c4941fec8a0e08b
Source of Spectrum J-54-1050-4
Synonyms 5-Chloro-2-methyl-4-phenyl-1,2,4-triazol-3-one 5-Chloro-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Wiley ID 1207908