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4,4-Dinitro-2-(4'-methyltriazolopyridium-3'-yl)-3-butenoate ylide
SpectraBase Compound ID CMru936TQJE
InChI InChI=1S/C12H11N5O6/c1-8-9-5-3-4-6-14(9)13-15(8)10(12(18)23-2)7-11(16(19)20)17(21)22/h3-7H,1-2H3/b15-10+
InChIKey JZVMYCWXBVHQEY-XNTDXEJSSA-N
Mol Weight 321.25 g/mol
Molecular Formula C12H11N5O6
Exact Mass 321.070933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7KZKc5U3fHc
Name 4,4-Dinitro-2-(4'-methyltriazolopyridium-3'-yl)-3-butenoate ylide
Alternate Name(s) 2-(3-Methyl-[1,2,3]triazolo[1,5-a]pyridin-2-yl)-4,4-dinitro-but-3-enoic acid methyl ester
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Formula C12H11N5O6
InChI InChI=1S/C12H11N5O6/c1-8-9-5-3-4-6-14(9)13-15(8)10(12(18)23-2)7-11(16(19)20)17(21)22/h3-7H,1-2H3/b15-10+
InChIKey JZVMYCWXBVHQEY-XNTDXEJSSA-N
Molecular Weight 321.249 g/mol
SMILES C=1[n]2n[n+](c(c2C=CC1)C)[C-](C=C(N(=O)=O)N(=O)=O)C(=O)OC
SPLASH splash10-0fb9-6900000000-58c26c27ad45233d4500
Source of Spectrum H1-34-1015-10
Wiley ID 754625