Cresol Purple(2303-01-7) IR2
Product NameCresol Purple
CAS2303-01-7
Molecular FormulaC21H18O5S
Molecular Weight382.43
InChIInChI=1S/C21H18O5S/c1-13-11-15(22)7-9-17(13)21(18-10-8-16(23)12-14(18)2)19-5-3-4-6-20(19)27(24,25)26-21/h3-12,22-23H,1-2H3
InChIKey OLQIKGSZDTXODA-UHFFFAOYSA-N
SmilesS1(=O)(=O)C2=CC=CC=C2C(C2=CC=C(O)C=C2C)(C2=CC=C(O)C=C2C)O1
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MassMS-NW-1908 m-cresol purple C21H18O5S (Mass of molecular ion: 382)
Source Temperature: 240 °C Sample Temperature: 290 °C Direct, 75 eV
15.0 1.6 16.0 1.1 17.0 6.2 18.0 26.8 20.0 1.3 26.0 1.1 27.0 7.5 28.0 12.9 29.0 2.3 32.0 3.1 37.0 1.1 38.0 2.7 39.0 14.6 40.0 2.1 41.0 5.3 42.0 1.0 43.0 4.1 44.0 6.1 48.0 24.7 50.0 5.0 51.0 10.7 52.0 4.2 53.0 5.9 54.0 2.2 55.0 8.7 56.0 1.0 57.0 2.1 62.0 2.7 63.0 7.7 64.0 49.0 65.0 3.9 66.0 2.5 67.0 2.4 68.0 1.2 69.0 3.2 71.0 1.1 74.0 2.9 75.0 4.4 76.0 4.8 77.0 21.5 78.0 5.4 79.0 14.1 80.0 6.4 81.0 2.2 81.5 1.3 82.0 1.8 82.5 1.2 83.0 1.7 84.0 1.1 86.0 1.4 87.0 3.3 88.0 4.7 89.0 5.1 90.0 5.2 91.0 6.0 92.0 1.1 93.0 1.2 93.5 2.2 94.0 2.8 94.5 5.4 95.0 2.4 97.0 1.2 98.0 1.6 99.0 1.7 100.0 5.1 100.5 2.2 101.0 11.8 101.5 2.3 102.0 2.1 103.0 1.5 104.0 1.8 105.0 3.0 105.5 1.3 106.0 2.5 106.5 6.5 107.0 45.2 107.5 4.3 108.0 45.6 109.0 5.9 110.0 1.1 111.0 1.2 112.0 3.6 112.5 2.7 113.0 15.9 113.5 4.7 114.0 5.1 114.5 1.7 115.0 6.6 115.5 3.8 116.0 2.9 117.0 1.0 118.0 1.4 118.5 4.4 119.0 7.8 119.5 12.5 120.0 6.5 120.5 1.7 121.0 7.7 121.5 1.6 122.0 7.2 122.5 1.9 123.0 3.2 125.0 3.6 125.5 1.7 126.0 6.7 126.5 1.6 127.0 4.4 127.5 5.2 128.0 8.3 128.5 3.4 129.0 4.6 129.5 1.8 131.0 1.9 132.0 1.1 133.0 1.4 133.5 1.1 134.0 6.1 134.5 3.1 135.0 13.8 135.5 1.4 136.0 4.9 136.5 1.1 137.0 1.8 139.0 4.7 140.0 1.4 141.0 3.6 142.0 4.0 142.5 4.1 143.0 3.6 143.5 2.6 144.0 1.5 145.0 1.1 149.0 1.7 150.0 5.7 150.5 1.1 151.0 9.2 151.5 1.3 152.0 11.5 153.0 4.4 154.0 1.1 155.0 2.0 157.0 1.1 162.0 1.0 163.0 4.5 164.0 3.4 165.0 26.4 166.0 11.6 167.0 5.2 168.0 2.1 169.0 1.0 174.0 1.4 175.0 1.5 176.0 4.0 177.0 3.6 178.0 3.8 179.0 2.1 181.0 11.5 182.0 7.2 183.0 1.9 187.0 3.0 188.0 2.1 189.0 9.2 190.0 3.1 191.0 1.9 193.0 1.6 194.0 28.2 195.0 43.4 196.0 9.2 197.0 3.5 198.0 1.3 199.0 1.2 200.0 5.1 201.0 4.3 202.0 15.1 203.0 5.9 204.0 1.4 205.0 1.5 207.0 1.0 208.0 1.0 209.0 1.4 210.0 6.0 211.0 4.9 212.0 1.7 213.0 7.3 214.0 3.1 215.0 13.8 216.0 4.9 217.0 2.1 218.0 4.7 219.0 3.2 220.0 1.0 224.0 3.3 225.0 7.0 226.0 16.9 227.0 11.3 228.0 10.2 229.0 8.9 230.0 2.9 231.0 13.2 232.0 6.0 233.0 3.6 234.0 1.3 237.0 2.9 238.0 2.0 239.0 18.8 240.0 8.0 241.0 7.2 242.0 6.3 243.0 5.6 244.0 12.5 245.0 9.5 246.0 3.4 247.0 1.7 248.0 1.0 250.0 2.2 251.0 1.9 252.0 4.8 253.0 4.3 254.0 2.1 255.0 17.3 256.0 11.2 257.0 28.2 258.0 14.1 259.0 19.1 260.0 4.7 261.0 3.6 266.0 1.0 267.0 1.7 268.0 7.4 269.0 9.8 270.0 5.2 271.0 15.3 272.0 42.7 273.0 16.2 274.0 9.4 275.0 6.6 276.0 4.0 277.0 1.2 281.0 1.8 282.0 1.7 283.0 3.6 284.0 7.4 285.0 18.4 286.0 13.3 287.0 98.8 288.0 22.7 289.0 3.8 297.0 1.8 298.0 6.0 299.0 9.8 300.0 84.8 301.0 43.3 302.0 100.0 303.0 29.1 304.0 4.6 314.0 1.4 315.0 1.1 316.0 2.4 317.0 1.9 318.0 1.3 367.0 8.1 368.0 2.1 369.0 1.0 380.0 1.3 381.0 1.0 382.0 10.2 383.0 2.6 384.0 1.4
KBr disc
nujol mull
