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1-Benzyl-1H-[1,2,4]triazol-4-ium-4-methylbenzoyl-2,4,6-triniyrophenylmethylide
SpectraBase Compound ID qBtDADv2cy
InChI InChI=1S/C24H18N6O7/c1-16-7-9-18(10-8-16)24(31)23(26-14-25-27(15-26)13-17-5-3-2-4-6-17)22-20(29(34)35)11-19(28(32)33)12-21(22)30(36)37/h2-12,14-15H,13H2,1H3
InChIKey IAWWHSBJSIQAIX-UHFFFAOYSA-N
Mol Weight 502.44 g/mol
Molecular Formula C24H18N6O7
Exact Mass 502.123697 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GSc331OSWaw
Name 1-Benzyl-1H-[1,2,4]triazol-4-ium-4-methylbenzoyl-2,4,6-triniyrophenylmethylide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H18N6O7
InChI InChI=1S/C24H18N6O7/c1-16-7-9-18(10-8-16)24(31)23(26-14-25-27(15-26)13-17-5-3-2-4-6-17)22-20(29(34)35)11-19(28(32)33)12-21(22)30(36)37/h2-12,14-15H,13H2,1H3
InChIKey IAWWHSBJSIQAIX-UHFFFAOYSA-N
Molecular Weight 502.443 g/mol
SMILES [C-]([n+]1c[n](Cc2ccccc2)nc1)(c1c(N(=O)=O)cc(N(=O)=O)cc1N(=O)=O)C(c1ccc(cc1)C)=O
SPLASH splash10-0a4i-0000900000-2493aff5acbb5f9c85e3
Source of Spectrum F-56-379-8
Wiley ID 855554