產(chǎn)品名稱:3-乙基-5-(2-羥乙基)-4-甲基噻唑溴化物
CAS:54016-70-5
分子式:C8H14BrNOS
分子量: 252.17
InChI:InChI=1S/C8H14NOS.BrH/c1-3-9-6-11-8(4-5-10)7(9)2;/h6,10H,3-5H2,1-2H3;1H/q+1;/p-1
InChIKey: BDQRQMLWZJQQKS-UHFFFAOYSA-M
Smiles:S1C(CCO)=C(C)[N+](CC)=C1.[Br-]
Mass
MS-KW-0425 3-ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide C8H14BrNOS (Mass of molecular ion: 235)
Source Temperature: 190 °C Sample Temperature: 170 °C Direct, 75 eV
17.0 1.5 18.0 7.5 26.0 5.0 27.0 18.5 28.0 7.3 29.0 18.2 31.0 5.0 39.0 5.1 40.0 1.0 41.0 4.5 42.0 1.9 43.0 1.4 45.0 21.1 47.0 1.5 50.0 1.1 51.0 2.6 52.0 1.8 53.0 4.9 54.0 1.7 55.0 2.5 58.0 7.3 59.0 6.3 65.0 1.3 68.0 2.7 69.0 3.4 70.0 1.8 71.0 6.6 72.0 4.6 79.0 2.1 80.0 5.0 81.0 2.2 82.0 4.6 83.0 1.0 84.0 1.6 85.0 28.4 86.0 4.8 87.0 1.8 93.0 1.4 95.0 1.2 97.0 6.5 98.0 5.0 99.0 2.0 100.0 1.6 108.0 31.6 109.0 1.0 110.0 30.8 111.0 1.6 112.0 100.0 113.0 39.7 114.0 7.1 115.0 1.9 124.0 2.6 125.0 13.6 126.0 1.4 127.0 1.3 143.0 35.3 144.0 3.1 145.0 1.8
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C8H14BrNOS | 0.039 g : 0.5 ml DMSO-d6 |
3-ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide |
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Assign. Shift(ppm) |
Hz ppm Int.
4068.46 10.177 373 1819.01 4.550 73 1812.14 4.533 224 1811.68 4.532 222 1804.81 4.515 227 1804.51 4.514 224 1797.49 4.497 76 1463.17 3.660 164 1457.52 3.646 285 1451.73 3.632 180 1227.88 3.072 133 1222.23 3.058 230 1216.59 3.044 120 998.69 2.499 1000 594.18 1.487 331 587.01 1.469 735 579.69 1.450 325
in DMSO-d6
3-乙基-5-(2-羥乙基)-4-甲基噻唑溴化物(54016-70-5)質(zhì)譜(MS)相關(guān)產(chǎn)品圖譜