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4-(3-Acetyl-6-oxo-5-phenyl-5,6-dihydro-4H-[1,2,4]triazin-1-yl)benzonitrile
SpectraBase Compound ID 1U8LjkHWmOC
InChI InChI=1S/C18H14N4O2/c1-12(23)17-20-16(14-5-3-2-4-6-14)18(24)22(21-17)15-9-7-13(11-19)8-10-15/h2-10,16H,1H3,(H,20,21)
InChIKey WNGVWNZKHMPFRL-UHFFFAOYSA-N
Mol Weight 318.34 g/mol
Molecular Formula C18H14N4O2
Exact Mass 318.111676 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 95fQT0U9j9J
Name 4-(3-ACETYL-6-OXO-5-PHENYL-5,6-DIHYDRO-4H-[1,2,4]TRIAZIN-1-YL)BENZONITRILE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H14N4O2
InChI InChI=1S/C18H14N4O2/c1-12(23)17-20-16(14-5-3-2-4-6-14)18(24)22(21-17)15-9-7-13(11-19)8-10-15/h2-10,16H,1H3,(H,20,21)
InChIKey WNGVWNZKHMPFRL-UHFFFAOYSA-N
Molecular Weight 318.1114
SMILES N1C(C(N(N=C1C(C)=O)c1ccc(C#N)cc1)=O)c1ccccc1
SPLASH splash10-01ox-9320000000-2cf98d7e0ef5d1bb6a18
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany