對(duì)甲苯磺酸(104-15-4)紅外圖譜(IR1)
InChI:InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
InChIKey: JOXIMZWYDAKGHI-UHFFFAOYSA-N
Smiles:C1(S(O)(=O)=O)=CC=C(C)C=C1
-
Assign. Shift(ppm)
A 7.530
B 7.170
C 6.57
D 2.302
Spectral Code: 1H NMR : 400 MHz in DMSO-d6
-
ppm Int. Assign.
144.20 166 1
138.49 213 2
128.25 1000 3
125.45 962 4
20.69 437 5
Spectral Code: 13C NMR : in DMSO-d6
-
Spectral Code: IR : nujol mull