苯胺硫酸鹽(2:1)(542-16-5)紅外圖譜(IR1)
分子式:C12H16N2O4S
分子量: 284.33
InChI:InChI=1S/C6H7N.H2O4S/c7-6-4-2-1-3-5-6;1-5(2,3)4/h1-5H,7H2;(H2,1,2,3,4)
InChIKey: NTOLGSSKLPLTDW-UHFFFAOYSA-N
Smiles:NC1=CC=CC=C1.S(O)(O)(=O)=O
90 MHz in DMSO-d6
400 MHz in DMSO-d6
-
| 1H NMR |
89.56 MHz |
| C6 H7 N
|
0.039 g : 0.5 ml DMSO-d6
|
| aniline sulfate
|
 |
Assign. Shift(ppm)
A 7.26
B 7.07
C 7.00
D 6.93
|
Hz ppm Int.
658.75 7.356 122
657.63 7.343 231
655.81 7.323 108
654.75 7.311 58
653.06 7.292 116
652.31 7.284 87
651.38 7.274 219
650.88 7.268 164
650.06 7.259 328
649.06 7.248 479
647.94 7.235 150
646.06 7.214 168
644.44 7.196 114
643.06 7.181 574
642.25 7.172 499
640.50 7.152 200
639.50 7.141 132
637.50 7.119 187
636.88 7.112 190
635.38 7.095 219
631.88 7.056 286
630.38 7.039 424
629.31 7.027 799
628.63 7.020 1000
627.75 7.010 768
625.56 6.985 308
624.00 6.968 289
622.31 6.949 466
621.69 6.942 466
620.88 6.933 469
620.25 6.926 309
619.44 6.917 362
617.94 6.900 85
616.88 6.888 107
616.25 6.881 137
614.81 6.865 174
613.38 6.849 94
-
| 1H NMR |
399.65 MHz |
| C6 H7 N
|
0.035 g : 0.5 ml DMSO-d6
|
| aniline sulfate
|
|
Assign. Shift(ppm)
A 8.0
B 7.254
C 6.99
D 6.96
|
Hz ppm Int.
3180.42 7.959 44
2910.03 7.282 94
2908.20 7.277 538
2906.25 7.272 202
2903.08 7.265 127
2900.88 7.259 809
2899.78 7.256 841
2897.83 7.251 153
2894.41 7.243 254
2893.19 7.240 324
2892.33 7.238 700
2890.26 7.232 104
2798.58 7.003 149
2796.88 6.999 685
2795.78 6.996 1000
2793.58 6.991 287
2790.41 6.983 413
2789.31 6.980 665
2788.21 6.977 896
2787.11 6.974 727
2784.91 6.969 137
2783.08 6.964 311
2782.10 6.962 531
2778.44 6.953 32
2775.88 6.946 171
2774.78 6.944 256
2773.56 6.940 136