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4-Methoxybenzoyl 4-(4-tolyl)-1,2,4-triazol-1-ium 2,4,6-trinitrophenylmethylide
SpectraBase Compound ID HBx10gkNrA4
InChI InChI=1S/C24H18N6O8/c1-15-3-7-17(8-4-15)26-13-25-27(14-26)23(24(31)16-5-9-19(38-2)10-6-16)22-20(29(34)35)11-18(28(32)33)12-21(22)30(36)37/h3-14H,1-2H3
InChIKey XIGCNTBARNGOBV-UHFFFAOYSA-N
Mol Weight 518.44 g/mol
Molecular Formula C24H18N6O8
Exact Mass 518.118612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2hI9mujL1E1
Name 4-Methoxybenzoyl 4-(4-tolyl)-1,2,4-triazol-1-ium 2,4,6-trinitrophenylmethylide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H18N6O8
InChI InChI=1S/C24H18N6O8/c1-15-3-7-17(8-4-15)26-13-25-27(14-26)23(24(31)16-5-9-19(38-2)10-6-16)22-20(29(34)35)11-18(28(32)33)12-21(22)30(36)37/h3-14H,1-2H3
InChIKey XIGCNTBARNGOBV-UHFFFAOYSA-N
Molecular Weight 518.442 g/mol
SMILES [C-]([n+]1nc[n](c1)-c1ccc(cc1)C)(c1c(N(=O)=O)cc(N(=O)=O)cc1N(=O)=O)C(c1ccc(cc1)OC)=O
SPLASH splash10-00di-0801590000-fc45286f4cb082f84568
Source of Spectrum H1-51-2218-5
Synonyms 1-(4-Methoxyphenyl)-2-[4-(4-methylphenyl)-4H-1lambda(5),2,4-triazol-1-ylidene]-2-(2,4,6-trinitrophenyl)ethanone
Wiley ID 817236