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4-(3-Acetyl-6-oxo-5,6-dihydro-4H-[1,2,4]triazin-1-yl)benzonitrile
SpectraBase Compound ID KOb6H0rXzZD
InChI InChI=1S/C12H10N4O2/c1-8(17)12-14-7-11(18)16(15-12)10-4-2-9(6-13)3-5-10/h2-5H,7H2,1H3,(H,14,15)
InChIKey UPPJUUHQKZTBCX-UHFFFAOYSA-N
Mol Weight 242.24 g/mol
Molecular Formula C12H10N4O2
Exact Mass 242.080376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6jombuVEHIl
Name 4-(3-ACETYL-6-OXO-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 C12H10N4O2
InChI InChI=1S/C12H10N4O2/c1-8(17)12-14-7-11(18)16(15-12)10-4-2-9(6-13)3-5-10/h2-5H,7H2,1H3,(H,14,15)
InChIKey UPPJUUHQKZTBCX-UHFFFAOYSA-N
Molecular Weight 242.0802
SMILES N1CC(N(N=C1C(C)=O)c1ccc(C#N)cc1)=O
SPLASH splash10-0006-9120000000-15979022467206bb54f0
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany