Product Name5-CARBOXY-2,3-DIPHENYL-2H-TETRAZOLIUMCHLORIDE
Molecular FormulaC14H13ClN4O2
Molecular Weight304.73162
InChIInChI=1S/C14H12N4O2.ClH/c19-14(20)13-15-17(11-7-3-1-4-8-11)18(16-13)12-9-5-2-6-10-12;/h1-10H,(H,15,16)(H,19,20);1H
InChIKey BLFXVMMJBNOJTJ-UHFFFAOYSA-N
SmilesN1=C(C(O)=O)NN(C2=CC=CC=C2)[NH+]1C1=CC=CC=C1.[Cl-]
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MassMS-NW-8214 5-carboxy-2,3-diphenyl-2H-tetrazolium chloride C14H11ClN4O2 (Mass of molecular ion: 302)
Source Temperature: 200 °C Sample Temperature: 200 °C Direct, 75 eV
18.0 2.8 27.0 2.1 28.0 4.5 29.0 1.6 35.0 1.6 36.0 16.0 37.0 1.0 38.0 6.2 39.0 3.7 41.0 1.8 42.0 5.1 43.0 14.5 44.0 1.4 50.0 3.7 51.0 16.9 52.0 2.3 63.0 3.4 64.0 6.3 65.0 4.7 66.0 1.0 75.0 1.0 76.0 2.1 77.0 100.0 78.0 9.0 90.0 1.3 91.0 18.3 92.0 6.2 93.0 1.8 104.0 1.6 105.0 41.4 106.0 3.3 115.0 1.3 117.0 1.9 118.0 11.2 119.0 1.7 128.0 1.1 145.0 1.1 151.0 1.8 152.0 7.8 153.0 11.8 154.0 2.9 161.0 1.1 166.0 1.3 167.0 3.5 168.0 1.5 169.0 1.5 181.0 1.0 182.0 22.1 183.0 3.1 193.0 1.3 194.0 3.4 197.0 1.1 221.0 17.4 222.0 11.2 223.0 2.1 228.0 1.1 229.0 1.7 257.0 1.5 258.0 3.5 297.0 1.2 334.0 1.0
400 MHz in D2O
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1H NMR 399.65 MHz C14 H11 Cl N4 O2 0.035 g : 0.5 ml D2O 5-carboxy-2,3-diphenyl-2H-tetrazolium chloride 
Assign. Shift(ppm)
A 7.86 B 7.77 C 7.71 SOLVENT PEAK REMOVED
Hz ppm Int.3151.12 7.885 84 3150.76 7.884 83 3149.90 7.882 168 3148.44 7.878 107 3142.46 7.864 419 3140.99 7.860 176 3136.35 7.848 149 3135.99 7.847 147 3135.01 7.845 287 3133.67 7.842 174 3109.50 7.781 371 3108.52 7.779 465 3107.42 7.776 248 3103.27 7.765 185 3101.07 7.760 1000 3099.61 7.756 696 3088.87 7.729 723 3086.67 7.724 291 3081.54 7.711 704 3080.44 7.708 493 3078.49 7.703 164 3074.95 7.695 142 3072.75 7.689 293 3070.80 7.684 133
in CDCl3
KBr disc
