3,3'-DIETHYLTHIACARBOCYANINE IODIDE(905-97-5) 1H NMR
Product Name3,3'-DIETHYLTHIACARBOCYANINE IODIDE
CAS905-97-5
Molecular FormulaC21H21IN2S2
Molecular Weight492.44
-
MassMS2003-01710WA 3-ethyl-2-(3-(3-ethyl-2(3H)-benzothiazolylidene)-1-propenyl)benzothiazolium iodide C21H21IN2S2 (Mass of molecular ion: 492)
Source Temperature: 250 °C Sample Temperature: 310 °C Direct, 70 eV comment: spectral pattern varies, pattern of middle period is recorded.
26.0 3.8 27.0 19.6 28.0 5.6 29.0 30.3 38.0 1.0 39.0 3.6 44.0 1.2 45.0 5.9 50.0 1.8 51.0 2.3 58.0 4.2 62.0 1.4 63.0 6.7 64.0 1.7 65.0 6.2 69.0 15.3 70.0 1.6 71.0 1.9 74.0 1.2 74.5 2.1 75.0 1.7 76.0 1.6 77.0 4.2 78.0 1.6 81.0 1.8 82.0 7.5 83.0 1.0 89.0 1.0 90.0 1.4 91.0 1.6 93.0 1.6 96.0 1.2 102.0 1.9 103.0 1.4 104.0 5.0 107.0 1.8 108.0 23.0 109.0 15.3 110.0 2.3 115.0 1.2 116.0 3.0 117.0 3.3 121.0 4.4 122.0 1.6 127.0 20.8 128.0 9.5 129.0 1.2 134.0 1.5 135.0 3.7 136.0 5.4 137.0 1.0 140.0 1.6 141.0 2.1 145.0 2.2 146.0 3.0 147.0 1.4 148.0 20.8 149.0 87.8 150.0 10.3 151.0 5.0 152.0 1.1 153.0 1.1 153.5 1.6 154.0 3.3 156.0 100.0 157.0 2.0 159.0 1.2 160.0 7.6 161.0 2.3 162.0 11.3 163.0 2.2 164.0 3.3 167.0 1.9 168.0 6.5 168.5 1.5 172.0 7.2 173.0 90.1 174.0 17.3 175.0 12.5 176.0 5.1 177.0 9.7 178.0 1.6 179.0 1.0 182.0 2.8 184.0 1.2 185.0 4.9 186.0 38.0 187.0 8.4 188.0 32.7 189.0 5.2 190.0 5.4 191.0 1.0 197.0 1.2 198.0 10.5 199.0 5.6 200.0 11.5 201.0 20.0 202.0 4.9 203.0 1.7 204.0 4.3 210.0 1.0 211.0 2.2 212.0 2.0 213.0 1.4 214.0 7.9 215.0 1.7 216.0 2.4 223.0 1.0 229.0 12.8 230.0 2.7 231.0 1.0 238.5 2.3 239.0 1.0 240.0 1.1 241.0 1.0 248.0 1.1 273.0 1.1 274.0 3.0 275.0 3.0 282.0 1.3 287.0 1.8 303.0 1.0 305.0 4.4 306.0 8.8 307.0 28.9 308.0 11.1 309.0 9.7 310.0 3.0 311.0 1.9 319.0 9.0 320.0 4.3 321.0 9.0 322.0 2.3 323.0 1.2 331.0 2.0 332.0 1.3 333.0 1.5 334.0 1.0 335.0 15.4 336.0 88.9 337.0 21.9 338.0 10.1 339.0 2.2 343.0 2.9 344.0 4.6 345.0 4.2 346.0 1.6 347.0 3.1 348.0 1.1 349.0 10.6 350.0 2.9 351.0 1.4 356.0 2.8 357.0 1.7 358.0 1.3 359.0 1.1 363.0 1.3 364.0 24.9 365.0 6.6 366.0 3.1 368.0 1.1 369.0 1.2 370.0 1.1 371.0 11.4 372.0 3.5 373.0 1.9 375.0 3.5 376.0 1.3 444.0 1.6 462.0 1.0 476.0 2.8 477.0 22.8 478.0 8.7 479.0 4.5 480.0 1.5 490.0 3.8 491.0 3.4 492.0 1.8 495.0 4.7 496.0 1.7 497.0 1.0 523.0 2.6 524.0 1.0
KBr disc
nujol mull
