2-BROMOTHIOPHENOL(6320-02-1) MS
Product Name2-BROMOTHIOPHENOL
CAS6320-02-1
Molecular FormulaC6H5BrS
Molecular Weight189.07
-
MassMS-NW-8590 o-bromobenzenethiol C6H5BrS (Mass of molecular ion: 188)
Source Temperature: 260 °C Sample Temperature: 140 °C Reservoir, 75 eV
37.0 2.0 38.0 2.9 39.0 5.5 45.0 3.8 49.0 1.0 50.0 5.5 51.0 2.1 53.0 1.3 54.0 6.4 57.0 1.2 58.0 4.6 61.0 1.5 62.0 2.5 63.0 6.0 64.0 1.1 65.0 13.6 69.0 16.9 74.0 3.4 75.0 3.7 76.0 2.1 81.0 3.3 82.0 7.8 83.0 1.3 93.0 1.1 94.0 2.0 95.0 2.1 107.0 1.2 108.0 26.5 109.0 100.0 110.0 8.7 111.0 4.8 187.0 1.5 188.0 46.6 189.0 5.2 190.0 47.5 191.0 3.5 192.0 2.1
90 MHz in CDCl3
-
1H NMR 89.56 MHz C6 H5 Br S 0.05 ml : 0.5 ml CDCl3 o-bromobenzenethiol 
Assign. Shift(ppm)
A 7.469 B 7.289 C 7.102 D 6.933 E 3.956 CONFIRMED BY LAOCN CALCULATION J(A,C)=7.8HZ J(B,D)=8.1HZ J(C,D)=7.7HZ J(A,D)=1.4HZ J(B,C)=1.3HZ J(A,B)=0.2HZ
Hz ppm Int.674.31 7.530 197 672.75 7.512 168 672.38 7.508 165 670.81 7.491 41 670.50 7.487 41 669.38 7.475 48 668.81 7.468 53 666.69 7.445 315 664.94 7.425 275 662.44 7.397 35 661.44 7.386 32 660.75 7.378 31 660.00 7.370 35 658.38 7.352 133 658.00 7.348 137 656.13 7.327 203 654.69 7.311 41 653.81 7.301 41 650.88 7.268 295 650.25 7.261 310 648.69 7.244 370 648.31 7.239 330 646.69 7.221 57 646.06 7.214 62 644.56 7.197 185 642.94 7.179 192 641.25 7.161 39 637.38 7.117 338 635.75 7.099 276 633.75 7.077 46 631.75 7.054 40 629.88 7.034 215 627.94 7.012 419 625.75 6.987 290 624.00 6.968 34 620.75 6.932 170 620.25 6.926 230 618.31 6.904 215 613.06 6.846 103 611.13 6.824 87 357.13 3.988 53 354.38 3.957 1000
in CDCl3
liquid film
