1,3-DIPHENYLACETONE P-TOLUENESULFONYLHYDRAZONE(19816-88-7) MS
Product Name1,3-DIPHENYLACETONE P-TOLUENESULFONYLHYDRAZONE
CAS19816-88-7
Molecular FormulaC22H22N2O2S
Molecular Weight378.49
InChIInChI=1S/C22H22N2O2S/c1-18-12-14-22(15-13-18)27(25,26)24-23-21(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2-15,24H,16-17H2,1H3
InChIKey GDXUEUWCUUAZFM-UHFFFAOYSA-N
SmilesC1(S(N/N=C(\CC2=CC=CC=C2)/CC2=CC=CC=C2)(=O)=O)=CC=C(C)C=C1
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MassMS-IW-0825 1,3-diphenylacetone tosylhydrazone C22H22N2O2S (Mass of molecular ion: 378)
Source Temperature: 190 °C Sample Temperature: 170 °C Direct, 75 eV
28.0 7.2 39.0 4.5 41.0 1.3 45.0 1.2 50.0 1.4 51.0 4.0 62.0 1.1 63.0 4.0 64.0 3.0 65.0 18.4 66.0 1.2 67.0 1.3 76.0 1.5 77.0 10.9 78.0 2.7 79.0 4.3 80.0 1.1 82.0 1.0 82.5 1.2 89.0 6.8 90.0 2.5 91.0 95.5 92.0 29.0 93.0 2.1 94.5 1.1 95.0 1.0 102.0 2.3 103.0 19.3 104.0 2.4 106.0 10.2 107.0 4.9 108.0 2.6 115.0 43.4 116.0 33.8 117.0 16.2 118.0 2.3 123.0 1.8 124.0 3.6 128.0 1.5 131.0 4.7 132.0 14.5 133.0 1.5 139.0 14.4 140.0 5.1 141.0 1.4 145.0 5.2 152.0 2.8 153.0 1.2 156.0 12.3 157.0 1.6 165.0 7.7 166.0 2.6 167.0 4.3 176.0 1.0 177.0 1.4 178.0 26.7 179.0 43.4 180.0 6.6 189.0 3.4 190.0 1.8 191.0 6.3 192.0 5.4 193.0 56.7 194.0 100.0 195.0 15.8 196.0 3.2 206.0 1.7 221.0 1.2 222.0 2.4 223.0 83.1 224.0 14.3 225.0 1.2 378.0 1.3
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C22 H22 N2 O2 S 0.035 g : 0.5 ml DMSO-d6 1,3-diphenylacetone tosylhydrazone 
Assign. Shift(ppm)
A 10.5 B 7.737 C 7.428 D 7.291 E 7.241 F 7.17 G 7.097 J 6.847 K *1 3.525 L *1 3.292 M 2.438
Hz ppm Int.4194.18 10.495 270 3096.62 7.749 361 3094.94 7.745 129 3088.38 7.728 420 2972.87 7.439 306 2972.26 7.438 326 2964.32 7.418 296 2924.19 7.317 78 2922.82 7.314 128 2921.14 7.310 60 2915.80 7.296 325 2914.28 7.293 188 2909.85 7.281 137 2908.48 7.278 298 2906.34 7.273 57 2900.39 7.258 90 2899.02 7.254 161 2897.64 7.251 102 2894.13 7.242 60 2891.85 7.236 172 2888.95 7.229 41 2885.74 7.221 39 2884.52 7.218 54 2883.15 7.215 34 2873.23 7.190 61 2869.72 7.181 495 2867.89 7.177 467 2864.69 7.168 303 2863.01 7.164 285 2860.41 7.158 70 2858.89 7.154 90 2855.38 7.145 30 2854.31 7.143 30 2853.55 7.141 33 2839.66 7.106 243 2838.13 7.102 306 2831.42 7.085 254 2744.29 6.867 30 2740.94 6.859 185 2738.95 6.854 218 2735.44 6.845 189 2734.53 6.843 171 2731.32 6.835 173 1409.00 3.526 551 1315.92 3.293 605 974.43 2.439 1000
in DMSO-d6
KBr disc
nujol mull
