Chlorophenol Red(4430-20-0) 1H NMR
Product NameChlorophenol Red
CAS4430-20-0
Molecular FormulaC19H12Cl2O5S
Molecular Weight423.27
InChIInChI=1S/C19H12Cl2O5S/c20-14-9-11(5-7-16(14)22)19(12-6-8-17(23)15(21)10-12)13-3-1-2-4-18(13)27(24,25)26-19/h1-10,22-23H
InChIKey WWAABJGNHFGXSJ-UHFFFAOYSA-N
SmilesS1(=O)(=O)C2=CC=CC=C2C(C2=CC=C(O)C(Cl)=C2)(C2=CC=C(O)C(Cl)=C2)O1
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MassMS-NW-0394 Chlorophenol Red C19H12Cl2O5S (Mass of molecular ion: 422)
Source Temperature: 210 °C Sample Temperature: 200 °C Direct, 75 eV
18.0 1.7 27.0 1.9 28.0 1.8 29.0 2.3 36.0 2.4 39.0 3.7 41.0 6.8 42.0 1.3 43.0 6.0 44.0 1.2 45.0 1.3 50.0 1.8 51.0 2.5 53.0 2.0 54.0 1.6 55.0 7.8 56.0 2.5 57.0 6.0 60.0 2.4 62.0 1.9 63.0 6.7 64.0 1.8 65.0 1.2 67.0 3.5 68.0 2.2 69.0 7.6 70.0 2.4 71.0 2.8 73.0 2.9 74.0 2.0 75.0 3.3 76.0 3.8 77.0 2.5 79.0 1.3 81.0 4.1 82.0 2.4 83.0 4.5 84.0 2.2 85.0 1.9 86.0 1.5 87.0 2.3 88.0 2.0 89.0 1.1 91.0 2.9 92.0 1.3 93.0 1.5 93.5 3.0 94.0 2.3 94.5 2.3 95.0 2.4 96.0 1.9 97.0 3.4 98.0 3.1 99.0 5.9 100.0 2.3 101.0 3.2 104.0 2.7 105.0 1.1 105.5 2.0 106.0 2.8 106.5 8.2 107.0 3.6 107.5 1.3 108.0 1.0 109.0 1.5 110.0 1.1 111.0 1.5 112.0 2.9 112.5 1.7 113.0 3.8 114.0 1.0 115.0 1.4 121.0 6.5 121.5 1.7 122.0 1.2 123.0 1.0 125.0 1.4 126.0 1.7 127.0 4.1 128.0 1.8 129.0 1.8 130.0 1.8 135.5 3.0 136.0 2.5 137.0 1.4 138.0 2.3 139.0 8.7 140.0 2.1 143.5 1.0 144.0 1.1 149.0 1.3 150.0 3.4 151.0 5.7 152.0 2.9 153.0 2.0 153.5 3.2 154.0 1.2 154.5 1.2 155.0 10.7 156.0 1.0 157.0 3.6 162.0 1.0 163.0 1.7 167.0 2.3 168.0 7.5 169.0 1.7 175.0 1.4 176.0 1.4 181.0 1.2 186.0 1.2 187.0 3.6 188.0 1.8 189.0 3.0 193.5 2.8 194.5 1.4 196.0 3.3 197.0 1.0 200.0 2.2 201.0 1.4 202.0 2.6 203.0 1.0 211.0 2.8 212.0 2.4 213.0 13.5 214.0 4.4 215.0 7.7 216.0 1.8 217.0 1.8 224.0 1.8 225.0 2.1 226.0 3.6 227.0 1.0 230.0 1.9 231.0 5.2 232.0 1.4 233.0 1.5 242.0 8.1 243.0 3.4 244.0 3.5 253.0 1.6 254.0 1.2 255.0 1.7 271.0 3.6 272.0 1.6 273.0 6.2 274.0 1.6 278.0 2.8 279.0 1.1 280.0 1.1 295.0 9.3 296.0 1.7 297.0 3.7 305.0 1.1 306.0 1.5 307.0 100.0 308.0 22.9 309.0 33.6 310.0 7.5 311.0 1.0 323.0 6.3 324.0 1.6 325.0 3.4 341.0 5.5 342.0 7.2 343.0 4.8 344.0 4.7 345.0 1.5 357.0 2.9 358.0 1.3 359.0 2.2 388.0 1.3 422.0 12.3 423.0 2.7 424.0 9.2 425.0 2.3 426.0 2.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C19 H12 Cl2 O5 S 0.033 g : 0.5 ml DMSO-d6 Chlorophenol Red 
Assign. Shift(ppm)
A 8.101 B 7.791 C 7.738 D 7.592 E 7.210 F 7.121 G 6.987
Hz ppm Int.3241.73 8.112 219 3234.71 8.094 246 3233.95 8.092 249 3123.32 7.816 87 3122.10 7.813 85 3119.66 7.806 30 3115.69 7.797 205 3114.62 7.794 202 3111.11 7.785 40 3108.22 7.778 166 3106.99 7.775 164 3099.67 7.756 161 3098.60 7.754 188 3092.04 7.737 213 3090.97 7.735 236 3084.56 7.719 105 3083.65 7.716 102 3037.87 7.602 222 3030.24 7.583 195 2882.84 7.214 871 2880.55 7.208 1000 2852.33 7.138 384 2849.88 7.131 333 2843.63 7.116 533 2841.19 7.110 502 2796.33 6.997 779 2787.63 6.976 623
KBr disc
nujol mull
