2-Methylbenzene-1-sulfonamide(88-19-7) Raman
Product Name2-Methylbenzene-1-sulfonamide
CAS88-19-7
Molecular FormulaC7H9NO2S
Molecular Weight171.22
InChIInChI=1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
InChIKey YCMLQMDWSXFTIF-UHFFFAOYSA-N
SmilesC1(S(N)(=O)=O)=CC=CC=C1C
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MassMS-NW-9139 o-toluenesulfonamide C7H9NO2S (Mass of molecular ion: 171)
Source Temperature: 190 °C Sample Temperature: 130 °C Direct, 75 eV
17.0 1.6 18.0 9.4 27.0 1.2 28.0 2.8 30.0 3.2 38.0 1.1 39.0 12.1 40.0 1.1 41.0 3.4 50.0 2.1 51.0 5.9 52.0 1.6 53.0 1.1 62.0 2.0 63.0 9.1 64.0 4.8 65.0 34.5 66.0 2.3 77.0 7.9 78.0 4.2 79.0 4.0 80.0 1.1 89.0 24.4 90.0 100.0 91.0 72.7 92.0 5.6 106.0 71.8 107.0 21.4 108.0 3.5 109.0 2.1 136.0 2.5 137.0 19.4 138.0 1.9 139.0 1.1 154.0 9.9 155.0 2.2 171.0 35.9 172.0 3.3 173.0 1.8
400 MHz in DMSO-d6 at 60C
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1H NMR 399.65 MHz C7 H9 N O2 S 0.038 g : 0.5 ml DMSO-d6 at 60 C o-toluenesulfonamide 
Assign. Shift(ppm)
A 7.877 B 7.465 C 7.36 D 7.35 E 7.20 F 2.605
Hz ppm Int.3152.47 7.889 140 3152.10 7.888 144 3145.63 7.871 104 3145.14 7.870 115 3144.17 7.868 150 2992.19 7.488 57 2990.72 7.484 61 2985.23 7.470 80 2983.52 7.466 154 2977.29 7.450 106 2975.83 7.447 108 2944.82 7.369 212 2944.09 7.367 304 2943.48 7.366 259 2939.82 7.356 37 2936.65 7.349 244 2936.16 7.347 260 2929.44 7.331 56 2928.83 7.329 67 2927.98 7.327 64 2927.37 7.325 57 2880.13 7.207 203 1041.38 2.606 1000
in DMSO-d6
KBr disc
nujol mull
