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4-Chlorobenzoyl 4-(4-tolyl)-1,2,4-triazol-1-ium 2,4,6-trinitrophenylmethylide
SpectraBase Compound ID 5F63EOD2e84
InChI InChI=1S/C23H15ClN6O7/c1-14-2-8-17(9-3-14)26-12-25-27(13-26)22(23(31)15-4-6-16(24)7-5-15)21-19(29(34)35)10-18(28(32)33)11-20(21)30(36)37/h2-13H,1H3
InChIKey AZTJTJKWJCKTNE-UHFFFAOYSA-N
Mol Weight 522.86 g/mol
Molecular Formula C23H15ClN6O7
Exact Mass 522.069075 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6gAmSdSb3X5
Name 4-Chlorobenzoyl 4-(4-tolyl)-1,2,4-triazol-1-ium 2,4,6-trinitrophenylmethylide
Alternate Name(s) 1-(4-Chlorobenzoyl) 4-(4-tolyl)-1,2,4-triazol-1-ium 2,4,6-trinitro-phenylmethylide 1-(4-Chlorophenyl)-2-[4-(4-methylphenyl)-4H-1lambda(5),2,4-triazol-1-ylidene]-2-(2,4,6-trinitrophenyl)ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H15ClN6O7
InChI InChI=1S/C23H15ClN6O7/c1-14-2-8-17(9-3-14)26-12-25-27(13-26)22(23(31)15-4-6-16(24)7-5-15)21-19(29(34)35)10-18(28(32)33)11-20(21)30(36)37/h2-13H,1H3
InChIKey AZTJTJKWJCKTNE-UHFFFAOYSA-N
Molecular Weight 522.861 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)Cl)=O
SPLASH splash10-00di-0501290000-029ea88d343e1f61172a
Source of Spectrum H1-51-2218-5
Wiley ID 817235