Product Name2,3-DIPHENYL-5-AMINOTETRAZOLIUM CHLORIDE
CAS88159-28-8
Molecular FormulaC13H12ClN5
Molecular Weight273.72
InChIInChI=1S/C13H12N5.ClH/c14-13-15-17(11-7-3-1-4-8-11)18(16-13)12-9-5-2-6-10-12;/h1-10H,(H2,14,15,16);1H/q+1;/p-1
InChIKey YIAQPRPGWYOIIE-UHFFFAOYSA-M
SmilesN1(N=C(N)N=[N+]1C1C=CC=CC=1)C1=CC=CC=C1.[Cl-]
Mass
MS-NW-8211 5-amino-2,3-diphenyl-2H-tetrazolium chloride C13H12ClN5 (Mass of molecular ion: 273)
Source Temperature: 220 °C Sample Temperature: 190 °C Direct, 75 eV
27.0 1.2 28.0 3.6 35.0 1.1 36.0 11.4 38.0 4.2 39.0 2.4 50.0 2.9 51.0 13.8 52.0 2.1 63.0 1.5 64.0 2.3 65.0 4.8 66.0 1.2 76.0 1.4 77.0 100.0 78.0 15.0 91.0 4.4 92.0 12.3 93.0 3.6 104.0 1.3 105.0 41.0 106.0 3.6 131.0 4.8 132.0 2.3 133.0 2.4 134.0 5.4 153.0 1.0 154.0 1.0 167.0 1.8 168.0 1.8 169.0 2.4 238.0 1.2 239.0 3.4
400 MHz in D2O
90 MHz in D2O
1H NMR | 399.65 MHz |
C13 H12 Cl N5 | 0.042 g : 0.5 ml D2O |
5-amino-2,3-diphenyl-2H-tetrazolium chloride |
Assign. Shift(ppm) |
Hz ppm Int.
3105.59 7.771 77 3104.00 7.767 145 3102.05 7.762 96 3099.24 7.755 104 3096.92 7.750 327 3095.58 7.746 155 3094.85 7.744 142 3091.67 7.736 122 3089.84 7.732 210 3088.13 7.728 142 3068.48 7.678 40 3065.19 7.670 187 3063.48 7.666 317 3062.13 7.663 186 3059.08 7.655 178 3056.52 7.648 1000 3054.57 7.644 731 3052.37 7.638 704 3049.56 7.631 169 3045.17 7.620 583 3043.09 7.615 265 3040.16 7.608 43 3038.45 7.603 95 3036.50 7.598 172
1H NMR | 89.56 MHz |
C13 H12 Cl N5 | 0.042 g : 0.5 ml D2O |
5-amino-2,3-diphenyl-2H-tetrazolium chloride |
Assign. Shift(ppm) |
Hz ppm Int.
688.69 7.690 241 687.81 7.680 186 685.63 7.656 1000 682.31 7.619 167 681.25 7.607 151
in CDCl3
KBr disc
nujol mull
2,3-DIPHENYL-5-AMINOTETRAZOLIUM CHLORIDE(88159-28-8) 1H NMR Atlas of Related Products
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