Thymol Blue(76-61-9) MS
Product NameThymol Blue
CAS76-61-9
Molecular FormulaC27H30O5S
Molecular Weight466.59
InChIInChI=1S/C27H32O5S/c1-15(2)19-13-22(17(5)11-24(19)28)27(21-9-7-8-10-26(21)33(30,31)32-27)23-14-20(16(3)4)25(29)12-18(23)6/h7-16,28-31H,1-6H3/p-2
InChIKey QYVIKASHNRZZQM-UHFFFAOYSA-L
SmilesS1([O-])([O-])C2=CC=CC=C2C(C2=C(C)C=C(O)C(C(C)C)=C2)(C2=C(C)C=C(O)C(C(C)C)=C2)O1
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MassMS-NW-9048 Thymol Blue C27H30O5S (Mass of molecular ion: 466)
Source Temperature: 210 °C Sample Temperature: 170 °C Direct, 75 eV
28.0 1.2 41.0 2.4 43.0 5.1 55.0 1.4 64.0 2.0 69.0 1.7 77.0 1.7 79.0 1.0 91.0 2.6 105.0 1.9 107.0 1.2 115.0 1.8 121.0 1.7 126.0 1.5 132.0 1.0 133.0 1.6 134.0 1.5 135.0 7.0 136.0 1.0 138.0 1.6 139.0 1.1 141.0 1.0 145.0 1.0 147.0 1.3 148.0 1.1 149.0 2.2 150.0 3.6 151.0 1.3 152.0 1.4 153.0 2.5 156.0 1.7 157.0 1.0 163.0 3.0 164.0 1.5 165.0 4.9 166.0 1.3 169.0 2.1 170.0 1.7 170.5 1.2 171.0 1.0 177.0 4.0 178.0 4.4 179.0 1.5 181.0 1.4 189.0 1.4 191.0 1.2 193.0 1.5 194.0 2.5 195.0 3.8 202.0 2.1 203.0 1.6 207.0 1.5 209.0 2.1 210.0 2.3 211.0 1.9 215.0 1.4 218.0 7.1 218.5 1.8 219.0 3.7 220.0 1.6 221.0 4.2 222.0 1.3 223.0 1.2 224.0 2.1 225.0 1.1 226.0 1.3 227.0 1.0 229.0 1.2 231.0 1.1 234.0 1.0 235.0 3.6 236.0 2.7 237.0 8.9 238.0 2.0 239.0 2.9 240.0 1.5 241.0 1.3 245.0 1.3 251.0 1.2 252.0 3.9 253.0 2.5 255.0 2.4 256.0 1.5 257.0 2.4 258.0 1.3 259.0 1.4 263.0 1.0 265.0 1.6 266.0 1.4 267.0 1.9 268.0 3.6 269.0 3.2 270.0 1.6 271.0 2.3 272.0 1.0 273.0 1.4 275.0 1.9 276.0 1.0 277.0 1.0 279.0 1.1 281.0 1.9 282.0 1.6 283.0 3.5 284.0 4.9 285.0 11.8 286.0 4.5 287.0 2.3 293.0 1.2 294.0 1.2 295.0 2.2 296.0 1.1 297.0 2.3 298.0 2.7 299.0 9.2 300.0 5.4 301.0 9.4 302.0 2.2 303.0 1.6 309.0 4.6 310.0 1.7 311.0 3.3 312.0 2.1 313.0 3.6 314.0 1.9 315.0 13.5 316.0 24.9 317.0 12.2 318.0 4.1 319.0 1.4 325.0 1.6 326.0 1.8 327.0 6.9 328.0 3.2 329.0 3.6 330.0 1.1 341.0 4.7 342.0 5.2 343.0 100.0 344.0 28.2 345.0 4.6 353.0 1.1 355.0 4.3 356.0 2.5 357.0 3.1 358.0 1.4 359.0 1.9 366.0 1.1 367.0 11.8 368.0 3.0 369.0 6.7 370.0 6.8 371.0 35.1 372.0 10.4 373.0 1.9 380.0 2.0 381.0 11.8 382.0 3.2 383.0 1.7 384.0 6.3 385.0 18.3 386.0 20.1 387.0 14.5 388.0 3.7 393.0 1.1 408.0 3.4 409.0 9.5 410.0 2.6 423.0 47.6 424.0 13.1 425.0 7.4 426.0 1.7 451.0 68.4 452.0 20.3 453.0 7.2 454.0 1.5 465.0 4.9 466.0 54.1 467.0 17.5 468.0 7.9 469.0 1.8
KBr disc
nujol mull
