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3H-pyrazol-3-one, 4-[(2,6-dibromo-4-nitrophenyl)imino]-2,4-dihydro-5-methyl-2-phenyl-
SpectraBase Compound ID Kn7WbmTgrrV
InChI InChI=1S/C16H10Br2N4O3/c1-9-14(16(23)21(20-9)10-5-3-2-4-6-10)19-15-12(17)7-11(22(24)25)8-13(15)18/h2-8H,1H3/b19-14+
InChIKey KEBGGIAPWWMVGW-XMHGGMMESA-N
Mol Weight 466.09 g/mol
Molecular Formula C16H10Br2N4O3
Exact Mass 463.911966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LKJ8gJ6RnsU
Name 3H-pyrazol-3-one, 4-[(2,6-dibromo-4-nitrophenyl)imino]-2,4-dihydro-5-methyl-2-phenyl-
Alternate Name(s) (E)-4-((2,6-dibromo-4-nitrophenyl)imino)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10Br2N4O3
InChI InChI=1S/C16H10Br2N4O3/c1-9-14(16(23)21(20-9)10-5-3-2-4-6-10)19-15-12(17)7-11(22(24)25)8-13(15)18/h2-8H,1H3/b19-14+
InChIKey KEBGGIAPWWMVGW-XMHGGMMESA-N
Molecular Weight 466.089 g/mol
SMILES CC1=NN(C(=O)\C1=N/c1c(Br)cc(cc1Br)[N+]([O-])=O)c1ccccc1
SPLASH splash10-000l-9305200000-b6c8b59243a0c7e1d0a7
Source of Spectrum JX-2015-4-743
Wiley ID 1726163