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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 3mmFxPJ33MT
Name 3-ACETYL-1-(4-CHLOROPHENYL)-5-(3H-IMIDAZOL-4-YLMETHYL)-4,5-DIHYDRO-1H-[1,2,4]TRIAZIN-6-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 331.0834
SMILES [nH]1c(CC2C(N(N=C(N2)C(C)=O)c2ccc(Cl)cc2)=O)cnc1
SPLASH splash10-003u-9720000000-ced374733a68503ab79f
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany