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3-Acetyl-1-(4-iodophenyl)-5-isopropyl-4,5-dihydro-1H-[1,2,4]triazin-6-one
SpectraBase Compound ID AM2TsHYjBMB
InChI InChI=1S/C14H16IN3O2/c1-8(2)12-14(20)18(17-13(16-12)9(3)19)11-6-4-10(15)5-7-11/h4-8,12H,1-3H3,(H,16,17)
InChIKey HSSRHCNXLISARM-UHFFFAOYSA-N
Mol Weight 385.21 g/mol
Molecular Formula C14H16IN3O2
Exact Mass 385.028722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35CV4fPsn0N
Name 3-ACETYL-1-(4-IODOPHENYL)-5-ISOPROPYL-4,5-DIHYDRO-1H-[1,2,4]TRIAZIN-6-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H16IN3O2
InChI InChI=1S/C14H16IN3O2/c1-8(2)12-14(20)18(17-13(16-12)9(3)19)11-6-4-10(15)5-7-11/h4-8,12H,1-3H3,(H,16,17)
InChIKey HSSRHCNXLISARM-UHFFFAOYSA-N
Molecular Weight 385.0243
SMILES N1C(C(N(N=C1C(C)=O)c1ccc(I)cc1)=O)C(C)C
SPLASH splash10-000f-8129000000-3613473e6c084e31ab6c
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany