M-TOLYLTETRAZOLIUM RED(88159-25-5) 13C NMR
Product NameM-TOLYLTETRAZOLIUM RED
CAS88159-25-5
Molecular FormulaC20H17ClN4
Molecular Weight348.83
InChIInChI=1S/C20H17N4.ClH/c1-16-9-8-14-19(15-16)24-22-20(17-10-4-2-5-11-17)21-23(24)18-12-6-3-7-13-18;/h2-15H,1H3;1H/q+1;/p-1
InChIKey ARLMHAOZVFIBCT-UHFFFAOYSA-M
SmilesN1(N=C(C2=CC=CC=C2)N=[N+]1C1C=CC=C(C)C=1)C1=CC=CC=C1.[Cl-]
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MassMS-NW-8215 2,5-diphenyl-3-(m-tolyl)-2H-tetrazolium chloride C20H17ClN4 (Mass of molecular ion: 348)
Source Temperature: 200 °C Sample Temperature: 200 °C Direct, 75 eV
18.0 2.7 27.0 2.9 28.0 21.9 35.0 3.4 36.0 35.4 37.0 1.9 38.0 13.4 39.0 13.5 40.0 1.6 41.0 4.4 50.0 7.6 51.0 15.4 52.0 9.9 53.0 1.6 62.0 3.1 63.0 11.7 64.0 18.4 65.0 12.4 66.0 3.4 69.5 1.5 74.0 2.5 75.0 3.7 76.0 11.1 77.0 24.3 78.0 26.9 79.0 7.3 81.5 1.1 82.0 2.0 82.5 3.5 83.0 2.0 83.5 1.1 86.0 1.0 87.0 1.5 88.0 1.8 89.0 5.2 90.0 4.1 91.0 100.0 92.0 20.3 93.0 3.4 97.0 1.9 102.0 2.0 103.0 14.6 104.0 32.5 105.0 52.0 106.0 8.6 107.0 2.0 112.0 1.0 113.0 1.6 114.0 1.1 115.0 2.9 118.0 1.4 125.0 2.7 126.0 2.6 127.0 2.2 128.0 1.7 138.0 1.0 139.0 11.3 140.0 3.6 141.0 4.0 142.0 1.0 151.0 2.2 152.0 5.1 153.0 3.8 154.0 4.6 163.0 3.6 164.0 3.6 165.0 31.3 166.0 27.5 167.0 16.7 168.0 8.3 169.0 1.2 176.0 1.8 177.0 1.8 178.0 6.0 179.0 8.7 180.0 20.7 181.0 10.4 182.0 4.0 183.0 1.3 190.0 1.1 192.0 2.7 193.0 8.9 194.0 67.7 195.0 12.7 196.0 2.0 202.0 1.7 205.0 1.2 206.0 1.7 207.0 14.2 208.0 50.3 209.0 8.4 214.0 1.3 215.0 1.7 216.0 1.5 228.0 1.9 229.0 1.3 230.0 4.2 231.0 1.0 232.0 1.1 239.0 1.3 241.0 3.3 242.0 7.9 243.0 2.4 244.0 5.6 245.0 1.0 255.0 1.7 256.0 3.4 257.0 1.9 258.0 1.2 269.0 2.1 270.0 5.5 271.0 1.8 278.0 1.0 283.0 3.1 284.0 10.3 285.0 2.5 298.0 2.6 318.0 2.0 320.0 2.4 332.0 1.2 360.0 1.8 374.0 1.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C20 H17 Cl N4 saturated in CDCl3 2,5-diphenyl-3-(m-tolyl)-2H-tetrazolium chloride 
Assign. Shift(ppm)
A 8.23 B 8.20 C 8.093 D 7.938 E 7.831 F 7.46 G 7.383 J 7.328 K 7.239 L 2.310
Hz ppm Int.3293.33 8.241 281 3289.67 8.232 54 3286.13 8.223 310 3284.42 8.219 287 3278.69 8.204 33 3278.08 8.203 35 3277.59 8.202 38 3275.63 8.197 80 3274.90 8.195 81 3238.53 8.104 260 3234.74 8.094 46 3230.83 8.085 287 3172.36 7.938 200 3134.03 7.842 99 3125.61 7.821 103 3016.36 7.548 78 3015.38 7.546 74 3014.04 7.542 68 3012.94 7.539 59 3012.33 7.538 56 3009.16 7.530 198 3006.71 7.524 188 3004.52 7.518 76 3003.91 7.517 75 3000.98 7.510 156 2999.39 7.506 151 2993.90 7.492 31 2993.41 7.491 34 2993.04 7.490 33 2992.68 7.489 35 2992.19 7.488 32 2991.46 7.486 33 2991.09 7.485 32 2989.99 7.482 31 2985.72 7.471 253 2981.93 7.462 52 2977.91 7.452 322 2974.73 7.444 64 2974.37 7.443 62 2970.58 7.433 128 2967.41 7.426 41 2966.92 7.424 40 2966.19 7.422 37 2965.21 7.420 33 2964.36 7.418 31 2963.99 7.417 32 2963.38 7.415 30 2958.62 7.404 206 2950.44 7.383 323 2942.75 7.364 190 2938.84 7.354 38 2938.35 7.353 38 2937.87 7.352 40 2933.23 7.340 117 2932.62 7.338 116 2928.83 7.329 50 2925.17 7.320 169 2900.15 7.257 151 2894.53 7.243 30 2892.21 7.237 211 2884.28 7.218 90 923.34 2.311 1000
in CDCl3
in D2O
KBr disc
