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1,5-Diphenyl-3-(4'-methylphenyl)-4-(4'-nitrobenzoyl)imino-1H-1,2,4-triazolium salt
SpectraBase Compound ID 1cKPrGGlLU1
InChI InChI=1S/C28H21N5O3/c1-20-12-14-21(15-13-20)26-29-31(24-10-6-3-7-11-24)28(23-8-4-2-5-9-23)32(26)30-27(34)22-16-18-25(19-17-22)33(35)36/h2-19H,1H3/q+1
InChIKey MWNCEPAJBQCFSV-UHFFFAOYSA-N
Mol Weight 475.51 g/mol
Molecular Formula C28H21N5O3
Exact Mass 475.16444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CXkRZwZuXxr
Name 1,5-Diphenyl-3-(4'-methylphenyl)-4-(4'-nitrobenzoyl)imino-1H-1,2,4-triazolium salt
Alternate Name(s) 3-(4-Methylphenyl)-4-[(4-nitrobenzene)amido]-1,5-diphenyl-1H-1,2,4-triazol-4-ylium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H21N5O3
InChI InChI=1S/C28H21N5O3/c1-20-12-14-21(15-13-20)26-29-31(24-10-6-3-7-11-24)28(23-8-4-2-5-9-23)32(26)30-27(34)22-16-18-25(19-17-22)33(35)36/h2-19H,1H3/q+1
InChIKey MWNCEPAJBQCFSV-UHFFFAOYSA-N
Molecular Weight 475.508 g/mol
SMILES c1([n+](c(n[n]1-c1ccccc1)-c1ccc(cc1)C)=NC(c1ccc(N(=O)=O)cc1)=O)-c1ccccc1
SPLASH splash10-08fu-7978000000-ce2e7d3c12261ec7b0a9
Source of Spectrum Y-33-594-11
Wiley ID 1394131