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3-Acetyl-1-(4-iodophenyl)-5-phenyl-1H-[1,2,4]triazin-6-one
SpectraBase Compound ID Fl3EhKOqLxK
InChI InChI=1S/C17H12IN3O2/c1-11(22)16-19-15(12-5-3-2-4-6-12)17(23)21(20-16)14-9-7-13(18)8-10-14/h2-10H,1H3
InChIKey NMGUPFJAIODGBV-UHFFFAOYSA-N
Mol Weight 417.21 g/mol
Molecular Formula C17H12IN3O2
Exact Mass 416.997422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZgjGWc3RmJ
Name 3-ACETYL-1-(4-IODOPHENYL)-5-PHENYL-1H-[1,2,4]TRIAZIN-6-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H12IN3O2
InChI InChI=1S/C17H12IN3O2/c1-11(22)16-19-15(12-5-3-2-4-6-12)17(23)21(20-16)14-9-7-13(18)8-10-14/h2-10H,1H3
InChIKey NMGUPFJAIODGBV-UHFFFAOYSA-N
Molecular Weight 416.9931
SMILES C=1(c2ccccc2)C(=O)N(c2ccc(I)cc2)N=C(C(C)=O)N1
SPLASH splash10-0006-9240200000-9e7c9e9070bc3249546a
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany