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2-(p-Chlorophenyl)-2,4-dihydro-1,2,4-triazol-3-one
SpectraBase Compound ID DdItNi0P8QJ
InChI InChI=1S/C8H6ClN3O/c9-6-1-3-7(4-2-6)12-8(13)10-5-11-12/h1-5H,(H,10,11,13)
InChIKey XJIFRQPMGXVSEA-UHFFFAOYSA-N
Mol Weight 195.61 g/mol
Molecular Formula C8H6ClN3O
Exact Mass 195.01994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5IiiYSyzd9y
Name 2-(p-Chlorophenyl)-2,4-dihydro-1,2,4-triazol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6ClN3O
InChI InChI=1S/C8H6ClN3O/c9-6-1-3-7(4-2-6)12-8(13)10-5-11-12/h1-5H,(H,10,11,13)
InChIKey XJIFRQPMGXVSEA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200200037
Molecular Weight 195.609 g/mol
SMILES N1C=NN(C1=O)c1ccc(cc1)Cl
SPLASH splash10-004j-1900000000-0ed81f2ca39999561509
Source of Spectrum QA-49-245-7c
Synonyms 2-(4-Chlorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Wiley ID 1795567