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3-Acetyl-1-(4-iodophenyl)-5-phenyl-1H-[1,2,4]triazin-6-one

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

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 GJFV3TM3Cn3
Name 3-Acetyl-1-(4-iodophenyl)-5-phenyl-1H-[1,2,4]triazin-6-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. 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 417.206 g/mol
SMILES c1(I)ccc(N2N=C(N=C(C2=O)c2ccccc2)C(=O)C)cc1
SPLASH splash10-0006-9240200000-a0c64c27afc47d32cc6a
Synonyms 3-Acetyl-1-(4-iodophenyl)-5-phenyl-1,2,4-triazin-6(1H)-one 3-Acetyl-1-(4-iodophenyl)-5-phenyl-1,2,4-triazin-6-one 3-Ethanoyl-1-(4-iodophenyl)-5-phenyl-1,2,4-triazin-6-one
Wiley ID 1475717