PROPERICYAZINE(2622-26-6) 1H NMR
Product NamePROPERICYAZINE
CAS2622-26-6
Molecular FormulaC21H23N3OS
Molecular Weight365.49
-
MassMS-IW-3440 10-(3-(4-hydroxypiperidino)propyl)-2-phenothiazinecarbonitrile C21H23N3OS (Mass of molecular ion: 365)
Source Temperature: 180 °C Sample Temperature: 190 °C Direct, 75 eV
18.0 1.0 28.0 1.6 29.0 1.7 30.0 1.5 39.0 1.3 41.0 3.8 42.0 7.4 43.0 3.8 44.0 16.6 45.0 1.2 53.0 1.4 55.0 2.3 56.0 3.2 57.0 2.4 58.0 1.3 68.0 1.2 69.0 2.1 70.0 3.8 71.0 1.9 77.0 1.1 82.0 1.7 83.0 1.1 84.0 1.7 96.0 2.8 97.0 1.7 98.0 2.7 100.0 4.5 101.0 1.1 112.0 3.7 113.0 2.3 114.0 100.0 115.0 9.1 124.0 1.2 126.0 2.9 127.0 1.4 128.0 8.3 140.0 2.4 141.0 4.3 142.0 25.2 143.0 2.2 152.0 1.2 164.0 1.4 177.0 1.1 179.0 2.6 191.0 1.8 192.0 3.5 196.0 1.5 204.0 1.6 205.0 8.2 206.0 1.5 222.0 1.4 223.0 11.8 224.0 10.8 225.0 2.2 231.0 1.4 235.0 1.5 236.0 2.1 237.0 7.4 238.0 4.4 239.0 1.0 248.0 1.8 249.0 2.9 250.0 2.3 251.0 1.6 263.0 14.1 264.0 16.6 265.0 3.9 266.0 1.3 365.0 38.7 366.0 9.9 367.0 2.9
400 MHz in CDCl3
-
1H NMR 399.65 MHz C21 H23 N3 O S 0.032 g : 0.5 ml CDCl3 10-(3-(4-hydroxypiperidino)propyl)-2-phenothiazinecarbonitrile 
Assign. Shift(ppm)
A 7.171 B 7.14 C 7.12 D 7.081 E 7.053 F 6.947 G 6.908 J 3.891 K 3.653 L 2.712 M 2.431 N 2.102 P 1.904 Q 1.86 R 1.83 S 1.532 ASSIGNED BY H-H AND C-H COSY.
Hz ppm Int.2875.61 7.196 142 2874.02 7.192 164 2868.16 7.177 190 2867.43 7.175 214 2866.70 7.174 233 2865.84 7.171 219 2860.11 7.157 265 2858.52 7.153 240 2852.29 7.137 687 2851.07 7.134 897 2850.46 7.133 1000 2849.85 7.131 957 2842.53 7.113 105 2842.04 7.112 81 2834.96 7.094 259 2833.50 7.090 264 2827.27 7.075 366 2825.93 7.072 329 2818.97 7.054 453 2818.36 7.053 473 2784.06 6.967 199 2782.96 6.964 247 2776.61 6.948 284 2775.51 6.945 328 2769.04 6.929 153 2767.94 6.926 171 2765.14 6.919 288 2764.28 6.917 269 2756.96 6.899 248 2756.10 6.897 228 1562.13 3.909 254 1555.18 3.892 389 1548.22 3.874 274 1468.99 3.676 46 1468.75 3.676 46 1464.11 3.664 67 1459.96 3.654 87 1455.81 3.643 69 1455.57 3.643 69 1451.17 3.632 50 1090.21 2.728 129 1087.28 2.721 103 1084.23 2.713 124 1083.74 2.712 122 1078.86 2.700 146 1074.95 2.690 95 978.88 2.450 282 971.92 2.432 567 964.97 2.415 334 853.15 2.135 82 850.95 2.130 92 850.71 2.129 92 841.19 2.105 166 840.82 2.104 165 831.79 2.082 92 831.54 2.081 92 830.32 2.078 90 829.59 2.076 90 776.49 1.943 78 769.53 1.926 230 762.57 1.909 312 755.74 1.892 230 751.59 1.881 102 748.66 1.874 193 745.85 1.867 147 744.26 1.863 157 742.07 1.857 126 740.72 1.854 145 738.89 1.849 156 735.23 1.840 200 733.52 1.836 192 731.45 1.831 202 720.21 1.803 37 719.48 1.801 34 629.64 1.576 75 625.85 1.566 79 619.87 1.552 122 616.58 1.543 184 613.16 1.535 92 610.72 1.529 91 607.18 1.520 168 603.76 1.511 110 597.78 1.496 63 594.12 1.487 58
in CDCl3
KBr disc
nujol mull
