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4,6-Dinitrophenyliodotris(dimethylamino)cyclopropenium iodide
SpectraBase Compound ID B991GJ9AAKN
InChI InChI=1S/C15H21IN5O4.HI/c1-17(2)13-14(18(3)4)15(13,16,19(5)6)11-8-7-10(20(22)23)9-12(11)21(24)25;/h7-9H,1-6H3;1H/q+1;/p-1
InChIKey QGWOIDBFPTVPKJ-UHFFFAOYSA-M
Mol Weight 589.17 g/mol
Molecular Formula C15H21I2N5O4
Exact Mass 588.968294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ISJaafsDgEM
Name 4,6-Dinitrophenyliodotris(dimethylamino)cyclopropenium iodide
Comments Note: The molecular formula of the structure shown is C15H21I2N5O4 - which differs from the formula reported for the mass spectrum (C16H23I2N5O5)
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Formula C16H23I2N5O5
InChI InChI=1S/C15H21IN5O4.HI/c1-17(2)13-14(18(3)4)15(13,16,19(5)6)11-8-7-10(20(22)23)9-12(11)21(24)25;/h7-9H,1-6H3;1H/q+1;/p-1
InChIKey QGWOIDBFPTVPKJ-UHFFFAOYSA-M
Molecular Weight 589.173 g/mol
SMILES [I-].[C]1(=C(C1=[N+](C)C)N(C)C)(N(C)C)(I)c1ccc(cc1N(=O)=O)N(=O)=O
SPLASH splash10-00di-3229000000-57e9f16c23decbfbca51
Source of Spectrum QE-5-974-7
Wiley ID 844125