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3-Acetyl-1-(4-chlorophenyl)-5-(3H-imidazol-4-ylmethyl)-4,5-dihydro-1H-[1,2,4]triazin-6-one
SpectraBase Compound ID LgZJLoy8w5m
InChI InChI=1S/C15H14ClN5O2/c1-9(22)14-19-13(6-11-7-17-8-18-11)15(23)21(20-14)12-4-2-10(16)3-5-12/h2-5,7-8,13H,6H2,1H3,(H,17,18)(H,19,20)
InChIKey VQGPQZHQUKLPPC-UHFFFAOYSA-N
Mol Weight 331.76 g/mol
Molecular Formula C15H14ClN5O2
Exact Mass 331.083602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EGgltdG5R6D
Name 3-Acetyl-1-(4-chlorophenyl)-5-(3H-imidazol-4-ylmethyl)-4,5-dihydro-1H-[1,2,4]triazin-6-one
Alternate Name(s) 1-(4-Chlorophenyl)-3-ethanoyl-5-(1H-imidazol-5-ylmethyl)-2,5-dihydro-1,2,4-triazin-6-one 3-Acetyl-1-(4-chlorophenyl)-5-(1H-imidazol-5-ylmethyl)-2,5-dihydro-1,2,4-triazin-6-one 3-Acetyl-1-(4-chlorophenyl)-5-(1H-imidazol-5-ylmethyl)-4,5-dihydro-1,2,4-triazin-6(1H)-one
CAS Registry Number 139456-03-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14ClN5O2
InChI InChI=1S/C15H14ClN5O2/c1-9(22)14-19-13(6-11-7-17-8-18-11)15(23)21(20-14)12-4-2-10(16)3-5-12/h2-5,7-8,13H,6H2,1H3,(H,17,18)(H,19,20)
InChIKey VQGPQZHQUKLPPC-UHFFFAOYSA-N
Molecular Weight 331.763 g/mol
SMILES N1C(=NN(C(C1Cc1[nH]cnc1)=O)c1ccc(cc1)Cl)C(=O)C
SPLASH splash10-003u-9720000000-d537c8c15de1b69d7118
Wiley ID 1475560