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1-(4-Methylphenyl)-5-nitrobenzotriazole
SpectraBase Compound ID Da0qxA0oHpm
InChI InChI=1S/C13H10N4O2/c1-9-2-4-10(5-3-9)16-13-7-6-11(17(18)19)8-12(13)14-15-16/h2-8H,1H3
InChIKey KCGNJEXHOBUANT-UHFFFAOYSA-N
Mol Weight 254.25 g/mol
Molecular Formula C13H10N4O2
Exact Mass 254.080376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H5zgQTdkAAV
Name 1-(4-Methylphenyl)-5-nitrobenzotriazole
Alternate Name(s) 5-Nitro-1-(p-tolyl)-1H-benzo[d][1,2,3]triazole
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Formula C13H10N4O2
InChI InChI=1S/C13H10N4O2/c1-9-2-4-10(5-3-9)16-13-7-6-11(17(18)19)8-12(13)14-15-16/h2-8H,1H3
InChIKey KCGNJEXHOBUANT-UHFFFAOYSA-N
Molecular Weight 254.249 g/mol
SMILES c12[n](nnc1cc(cc2)N(=O)=O)-c1ccc(cc1)C
SPLASH splash10-001i-3910000000-95f18a9f74137a3b2ed0
Source of Spectrum HC-49-1283-2b
Wiley ID 1740351