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4-Bromobenzoyl 4-(4-tolyl)-1,2,4-triazol-1-ium 2,4,6-trinitrophenylmethylide
SpectraBase Compound ID CPzq63SPK4o
InChI InChI=1S/C23H15BrN6O7/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 HDPRTWBXVRPKSR-UHFFFAOYSA-N
Mol Weight 567.31 g/mol
Molecular Formula C23H15BrN6O7
Exact Mass 566.01856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4USRVjZd0mI
Name 4-Bromobenzoyl 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 C23H15BrN6O7
InChI InChI=1S/C23H15BrN6O7/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 HDPRTWBXVRPKSR-UHFFFAOYSA-N
Molecular Weight 567.312 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)Br)=O
SPLASH splash10-066r-0700090000-d35a85ae72c873119e97
Source of Spectrum H1-51-2217-5
Wiley ID 817237