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3-Acetyl-1-(4-iodophenyl)-4,5-dihydro-1H-[1,2,4]triazin-6-one
SpectraBase Compound ID 2s4vdmcbbyA
InChI InChI=1S/C11H10IN3O2/c1-7(16)11-13-6-10(17)15(14-11)9-4-2-8(12)3-5-9/h2-5H,6H2,1H3,(H,13,14)
InChIKey ZUAXOTMNJNFNFA-UHFFFAOYSA-N
Mol Weight 343.12 g/mol
Molecular Formula C11H10IN3O2
Exact Mass 342.981772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6JyFkWAtP5x
Name 3-Acetyl-1-(4-iodophenyl)-4,5-dihydro-1H-[1,2,4]triazin-6-one
CAS Registry Number 139455-68-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10IN3O2
InChI InChI=1S/C11H10IN3O2/c1-7(16)11-13-6-10(17)15(14-11)9-4-2-8(12)3-5-9/h2-5H,6H2,1H3,(H,13,14)
InChIKey ZUAXOTMNJNFNFA-UHFFFAOYSA-N
Molecular Weight 343.124 g/mol
SMILES N1C(=NN(C(C1)=O)c1ccc(cc1)I)C(=O)C
SPLASH splash10-0006-9113000000-9eab8f03079c0806a66f
Synonyms 3-Acetyl-1-(4-iodophenyl)-2,5-dihydro-1,2,4-triazin-6-one 3-Acetyl-1-(4-iodophenyl)-4,5-dihydro-1,2,4-triazin-6(1H)-one 3-Ethanoyl-1-(4-iodophenyl)-2,5-dihydro-1,2,4-triazin-6-one
Wiley ID 1475728