Product Name p-Toluenesulfonic acid
CAS104-15-4
MFC7H8O3S
MW172.2
InChIInChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
InChIKeyJOXIMZWYDAKGHI-UHFFFAOYSA-N
SmilesC1(S(O)(=O)=O)=CC=C(C)C=C1
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Assign. Shift(ppm) A 7.530 B 7.170 C 6.57 D 2.302
ppm Int. Assign. 144.20 166 1 138.49 213 2 128.25 1000 3 125.45 962 4 20.69 437 5
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