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4-Methoxybenzoyl 4-phenyl-1,2,4-triazol-1-ium 2,4,6-trinitrophenylmethylide
SpectraBase Compound ID 7iT3oWcYqLE
InChI InChI=1S/C23H16N6O8/c1-37-18-9-7-15(8-10-18)23(30)22(26-14-25(13-24-26)16-5-3-2-4-6-16)21-19(28(33)34)11-17(27(31)32)12-20(21)29(35)36/h2-14H,1H3
InChIKey GHDWIDPVIDNQJL-UHFFFAOYSA-N
Mol Weight 504.42 g/mol
Molecular Formula C23H16N6O8
Exact Mass 504.102961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4b4fpAo83d6
Name 4-Methoxybenzoyl 4-phenyl-1,2,4-triazol-1-ium 2,4,6-trinitrophenylmethylide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H16N6O8
InChI InChI=1S/C23H16N6O8/c1-37-18-9-7-15(8-10-18)23(30)22(26-14-25(13-24-26)16-5-3-2-4-6-16)21-19(28(33)34)11-17(27(31)32)12-20(21)29(35)36/h2-14H,1H3
InChIKey GHDWIDPVIDNQJL-UHFFFAOYSA-N
Molecular Weight 504.415 g/mol
SMILES [C-]([n+]1nc[n](c1)-c1ccccc1)(c1c(N(=O)=O)cc(N(=O)=O)cc1N(=O)=O)C(c1ccc(cc1)OC)=O
SPLASH splash10-0a4i-2400090000-bfee127098576d223f75
Source of Spectrum H1-51-2217-5
Wiley ID 817239