TRIMIPRAMINE MALEATE SALT(521-78-8) MS
Product NameTRIMIPRAMINE MALEATE SALT
CAS521-78-8
Molecular FormulaC24H30N2O4
Molecular Weight410.51
InChIInChI=1S/C20H26N2.C4H4O4/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22;5-3(6)1-2-4(7)8/h4-11,16H,12-15H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey YDGHCKHAXOUQOS-BTJKTKAUSA-N
SmilesN1(CC(C)CN(C)C)C2C(=CC=CC=2)CCC2C=CC=CC1=2.C(/C(=O)O)=C/C(=O)O
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MassMS-IW-3770 5-(3-dimethylamino-2-methylpropyl)-10,11-dihydro-5H-dibenz(b,f)azepine maleate C20H26N2 C4H4O4 (Mass of molecular ion: 294)
Source Temperature: 180 °C Sample Temperature: 160 °C Direct, 75 eV
18.0 3.2 26.0 3.8 27.0 2.6 28.0 1.3 29.0 1.1 30.0 2.1 39.0 1.3 41.0 1.5 42.0 4.3 43.0 1.8 44.0 3.7 45.0 3.9 51.0 1.1 53.0 1.4 54.0 4.0 55.0 2.8 57.0 1.6 58.0 85.0 59.0 3.9 63.0 1.0 65.0 2.0 70.0 1.6 71.0 3.0 72.0 8.1 77.0 2.4 84.0 14.5 85.0 2.6 86.0 1.6 89.0 2.5 90.0 1.4 91.0 5.5 98.0 2.0 99.0 23.3 100.0 3.0 106.0 1.6 115.0 1.7 116.0 1.6 117.0 2.0 118.0 1.7 128.0 1.3 130.0 4.9 131.0 1.2 143.0 1.9 144.0 1.9 152.0 1.8 165.0 4.1 166.0 1.9 167.0 2.8 177.0 1.0 178.0 4.1 179.0 4.7 180.0 3.0 190.0 1.0 191.0 3.2 192.0 7.3 193.0 26.4 194.0 18.9 195.0 10.2 196.0 1.4 204.0 2.8 205.0 1.4 206.0 6.0 207.0 2.6 208.0 41.2 209.0 9.7 210.0 1.0 218.0 2.3 219.0 1.6 220.0 7.3 221.0 1.7 232.0 1.3 234.0 29.7 235.0 8.1 236.0 4.4 248.0 26.4 249.0 100.0 250.0 19.9 251.0 1.9 294.0 28.2 295.0 6.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C20 H26 N2 0.040 g : 0.5 ml CDCl3 5-(3-dimethylamino-2-methylpropyl)-10,11-dihydro-5H-dibenz(b,f)azepine maleate 
Assign. Shift(ppm)
A 12. B 7.14 C 7.11 D 7.049 E 6.950 F 6.251 G *1 3.725 J *1 3.536 K 3.164 L *2 3.123 M *2 2.854 N 2.62 P 2.21 Q 1.137 ASSIGNED BY C-H COSY. J(G,J)=-13.2HZ J(G,P)=6.2HZ J(J,P)=8.6HZ J(L,M)=-12.9HZ J(L,P)=3.9HZ J(M,P)=9.2HZ
Hz ppm Int.2863.63 7.166 58 2861.79 7.161 72 2855.38 7.145 124 2854.65 7.143 135 2853.92 7.142 135 2848.24 7.127 122 2846.77 7.124 268 2845.49 7.120 153 2839.26 7.105 195 2837.80 7.101 151 2821.31 7.060 183 2820.21 7.057 200 2813.25 7.040 134 2812.16 7.037 129 2785.05 6.969 128 2783.76 6.966 122 2777.72 6.951 188 2776.62 6.948 173 2770.39 6.933 94 2769.11 6.929 88 2498.39 6.252 1000 1499.40 3.752 38 1493.17 3.737 41 1486.21 3.719 54 1480.17 3.704 54 1423.20 3.562 55 1414.78 3.541 59 1410.20 3.529 45 1401.59 3.508 44 1264.58 3.165 523 1256.34 3.144 63 1252.49 3.134 58 1243.52 3.112 58 1239.67 3.102 57 1151.38 2.881 54 1142.23 2.859 61 1138.56 2.849 50 1129.40 2.826 51 1046.98 2.620 62 457.92 1.146 358 451.32 1.130 352
in CDCl3
KBr disc
nujol mull
