Aniline sulfate(542-16-5) IR2
Product NameAniline sulfate
CAS542-16-5
Molecular FormulaC12H16N2O4S
Molecular Weight284.33
InChIInChI=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
SmilesNC1=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
DMSO-d6
KBr disc
nujol mull
