p-Toluenesulfonamide (70-55-3) IR1
Product Namep-Toluenesulfonamide
CAS70-55-3
Molecular FormulaC7H9NO2S
Molecular Weight171.22
InChIInChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
InChIKey LMYRWZFENFIFIT-UHFFFAOYSA-N
SmilesC1(S(N)(=O)=O)=CC=C(C)C=C1
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MassMS-NW-1770 p-toluenesulfonamide C7H9NO2S (Mass of molecular ion: 171)
Source Temperature: 200 °C Sample Temperature: 120 °C Direct, 75 eV
27.0 1.9 38.0 2.0 39.0 14.3 40.0 1.2 41.0 3.6 50.0 4.6 51.0 7.0 52.0 2.0 53.0 1.8 61.0 1.0 62.0 3.7 63.0 10.9 64.0 3.3 65.0 29.6 66.0 1.9 74.0 1.2 75.0 1.0 77.0 5.7 78.0 1.5 79.0 3.1 89.0 8.6 90.0 4.8 91.0 100.0 92.0 7.9 106.0 6.0 107.0 19.6 108.0 14.0 109.0 1.0 139.0 1.1 155.0 30.9 156.0 2.7 157.0 1.5 171.0 38.7 172.0 3.6 173.0 2.0
90 MHz in DMSO-d6
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1H NMR 89.56 MHz C7 H9 N O2 S 0.043 g : 0.5 ml CDCl3 p-toluenesulfonamide 
Assign. Shift(ppm)
A 7.72 B 7.36 C 7.26 D 2.364
Hz ppm Int.696.00 7.772 284 689.50 7.699 174 687.69 7.679 478 663.19 7.405 341 662.56 7.398 372 654.63 7.310 283 653.94 7.302 261 650.25 7.261 373 211.75 2.365 1000
DMSO-d6
KBr disc
nujol mull
