3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide(54016-70-5) MS
Product Name3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide
CAS54016-70-5
Molecular FormulaC8H14BrNOS
Molecular Weight252.17
InChIInChI=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
SmilesS1C(CCO)=C(C)[N+](CC)=C1.[Br-]
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MassMS-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
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1H NMR 399.65 MHz C8H14BrNOS 0.039 g : 0.5 ml DMSO-d6 3-ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide 
Assign. Shift(ppm)
A 10.177 B 4.524 C 3.646 D 3.058 E 2.499 F 1.469
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
