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4-Chlorobenzoyl 4-phenyl-1,2,4-triazol-1-ium 2,4,6-trinitrophenylmethylide
SpectraBase Compound ID 6Jnhusen7r3
InChI InChI=1S/C22H13ClN6O7/c23-15-8-6-14(7-9-15)22(30)21(26-13-25(12-24-26)16-4-2-1-3-5-16)20-18(28(33)34)10-17(27(31)32)11-19(20)29(35)36/h1-13H
InChIKey BFDQKJILDSUIMC-UHFFFAOYSA-N
Mol Weight 508.83 g/mol
Molecular Formula C22H13ClN6O7
Exact Mass 508.053424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2SCkUaSGuvu
Name 4-Chlorobenzoyl 4-phenyl-1,2,4-triazol-1-ium 2,4,6-trinitrophenylmethylide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H13ClN6O7
InChI InChI=1S/C22H13ClN6O7/c23-15-8-6-14(7-9-15)22(30)21(26-13-25(12-24-26)16-4-2-1-3-5-16)20-18(28(33)34)10-17(27(31)32)11-19(20)29(35)36/h1-13H
InChIKey BFDQKJILDSUIMC-UHFFFAOYSA-N
Molecular Weight 508.834 g/mol
SMILES [C-]([n+]1nc[n](c1)-c1ccccc1)(c1c(N(=O)=O)cc(N(=O)=O)cc1N(=O)=O)C(c1ccc(cc1)Cl)=O
SPLASH splash10-03di-0201190000-8bbee7ccc01ec77387cb
Source of Spectrum H1-51-2217-5
Synonyms 1-(4-Chlorophenyl)-2-(4-phenyl-4H-1lambda(5),2,4-triazol-1-ylidene)-2-(2,4,6-trinitrophenyl)ethanone
Wiley ID 817238