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
Mass
MS-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
1H NMR | 89.56 MHz |
C7 H9 N O2 S | 0.043 g : 0.5 ml CDCl3 |
p-toluenesulfonamide |
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Assign. Shift(ppm) |
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
p-Toluenesulfonamide (70-55-3) Raman Atlas of Related Products
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