2,3-DIPHENYL-5-(4-CHLOROPHENYL)TETRAZOLIUM CHLORIDE(10557-51-4) MS
Product Name2,3-DIPHENYL-5-(4-CHLOROPHENYL)TETRAZOLIUM CHLORIDE
CAS10557-51-4
Molecular FormulaC19H14Cl2N4
Molecular Weight369.25
InChIInChI=1S/C19H14ClN4.ClH/c20-16-13-11-15(12-14-16)19-21-23(17-7-3-1-4-8-17)24(22-19)18-9-5-2-6-10-18;/h1-14H;1H/q+1;/p-1
InChIKey CCQVUWNFRJMAMY-UHFFFAOYSA-M
SmilesN1(N=C(C2=CC=C(Cl)C=C2)N=[N+]1C1C=CC=CC=1)C1=CC=CC=C1.[Cl-]
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MassMS-NW-8216 5-(p-chlorophenyl)-2,3-diphenyl-2H-tetrazolium chloride C19H14Cl2N4 (Mass of molecular ion: 368)
Source Temperature: 230 °C Sample Temperature: 180 °C Direct, 75 eV
18.0 3.1 28.0 7.4 35.0 1.5 36.0 13.5 38.0 5.2 39.0 4.0 41.0 3.1 50.0 2.6 51.0 5.3 52.0 2.6 62.0 1.3 63.0 6.4 64.0 19.1 65.0 9.6 66.0 1.2 74.0 1.1 75.0 3.6 76.0 2.0 77.0 7.4 78.0 2.4 89.0 1.0 90.0 2.9 91.0 100.0 92.0 18.1 93.0 2.7 102.0 4.1 105.0 1.4 111.0 2.0 112.0 2.0 113.0 1.3 114.0 1.9 115.0 1.5 125.0 6.8 126.0 1.9 127.0 2.7 137.0 5.8 138.0 1.8 139.0 4.7 140.0 2.8 141.0 1.0 151.0 1.6 152.0 2.6 153.0 1.3 154.0 1.1 163.0 1.3 164.0 1.4 165.0 3.0 166.0 6.8 167.0 15.1 168.0 3.4 169.0 1.3 177.0 1.6 178.0 1.0 188.0 1.2 192.0 1.0 193.0 1.4 199.0 1.2 200.0 1.1 201.0 2.9 202.0 1.3 203.0 1.2 213.0 2.2 214.0 1.2 215.0 1.7 226.0 1.1 227.0 1.7 228.0 26.2 229.0 5.6 230.0 8.9 231.0 1.7 239.0 1.1 240.0 1.0 241.0 2.3 242.0 2.0 243.0 2.8 262.0 1.7 264.0 3.7 266.0 2.0 268.0 1.1 277.0 1.1 289.0 1.0 303.0 2.2 304.0 10.3 305.0 3.0 306.0 3.7 333.0 1.0 338.0 2.2 340.0 2.9 342.0 1.2 379.0 1.1 380.0 3.5 381.0 1.3 382.0 1.3 414.0 1.2 416.0 1.3 456.0 1.3
400 MHz in D2O
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1H NMR 399.65 MHz C19 H14 Cl2 N4 0.035 g : 0.5 ml D2O 5-(p-chlorophenyl)-2,3-diphenyl-2H-tetrazolium chloride 
Assign. Shift(ppm)
A 8.317 B 7.840 C 7.75 D 7.74 E 7.704
Hz ppm Int.3330.81 8.335 54 3328.49 8.329 339 3326.66 8.324 136 3324.22 8.318 39 3323.85 8.317 40 3321.90 8.313 131 3321.66 8.312 131 3319.82 8.307 381 3317.50 8.302 81 3142.82 7.864 81 3141.60 7.861 125 3140.26 7.858 87 3138.55 7.854 38 3134.28 7.843 295 3130.49 7.834 47 3128.05 7.827 129 3126.95 7.825 193 3125.61 7.821 131 3108.52 7.779 40 3104.37 7.768 299 3103.39 7.766 356 3096.19 7.748 1000 3094.48 7.743 674 3089.84 7.732 202 3087.89 7.727 435 3084.84 7.719 566 3082.76 7.714 243 3077.39 7.701 509 3070.80 7.684 123 3068.85 7.679 195
in CDCl3
KBr disc
