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3-Acetyl-5-benzyl-1-(4-iodophenyl)-4,5-dihydro-1H-[1,2,4]triazin-6-one
SpectraBase Compound ID 2LYSPr7vvAH
InChI InChI=1S/C18H16IN3O2/c1-12(23)17-20-16(11-13-5-3-2-4-6-13)18(24)22(21-17)15-9-7-14(19)8-10-15/h2-10,16H,11H2,1H3,(H,20,21)
InChIKey OGIMTHTVNBEQKH-UHFFFAOYSA-N
Mol Weight 433.25 g/mol
Molecular Formula C18H16IN3O2
Exact Mass 433.028722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6puA4mVuYAh
Name 3-ACETYL-5-BENZYL-1-(4-IODOPHENYL)-4,5-DIHYDRO-1H-[1,2,4]TRIAZIN-6-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H16IN3O2
InChI InChI=1S/C18H16IN3O2/c1-12(23)17-20-16(11-13-5-3-2-4-6-13)18(24)22(21-17)15-9-7-14(19)8-10-15/h2-10,16H,11H2,1H3,(H,20,21)
InChIKey OGIMTHTVNBEQKH-UHFFFAOYSA-N
Molecular Weight 433.0243
SMILES N1C(C(N(N=C1C(C)=O)c1ccc(I)cc1)=O)Cc1ccccc1
SPLASH splash10-0006-7239300000-55d7c3f5dd32e092170a
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany