Quinidine(56-54-2) Raman
Molecular FormulaC20H24N2O2
Molecular Weight324.42
InChIInChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1
InChIKey LOUPRKONTZGTKE-LHHVKLHASA-N
Smiles[C@@H](O)([C@@H]1[N@]2CC[C@H]([C@H](C2)C=C)C1)C1=CC=NC2=CC=C(OC)C=C12
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MassMS-NW-5968 quinidine C20H24N2O2 (Mass of molecular ion: 324)
Source Temperature: 210 °C Sample Temperature: 140 °C Direct, 75 eV
18.0 1.7 27.0 2.3 28.0 2.3 29.0 2.5 30.0 1.6 39.0 3.2 41.0 9.8 42.0 10.8 43.0 1.7 44.0 2.7 51.0 1.1 53.0 5.6 54.0 2.6 55.0 10.7 56.0 4.8 57.0 1.2 63.0 1.2 65.0 1.7 66.0 1.1 67.0 3.7 68.0 2.5 69.0 2.2 70.0 2.1 77.0 3.1 79.0 6.4 80.0 4.1 81.0 17.8 82.0 10.3 83.0 1.8 89.0 1.9 90.0 1.6 91.0 1.7 93.0 1.5 94.0 3.0 95.0 6.2 96.0 1.8 101.0 1.1 102.0 1.0 105.0 1.2 106.0 1.0 107.0 1.2 108.0 4.8 109.0 2.2 110.0 2.3 111.0 1.7 115.0 1.4 116.0 2.7 117.0 4.8 118.0 1.0 122.0 2.5 123.0 1.5 124.0 2.6 126.0 1.6 128.0 1.3 129.0 1.2 130.0 1.3 134.0 1.3 136.0 100.0 137.0 15.0 138.0 7.4 139.0 2.0 145.0 2.6 152.0 1.5 154.0 1.3 158.0 3.8 159.0 3.6 160.0 5.7 166.0 1.3 170.0 1.1 172.0 5.8 173.0 12.7 174.0 4.5 182.0 1.0 183.0 1.1 184.0 1.8 185.0 1.0 186.0 3.9 187.0 1.7 188.0 4.4 189.0 18.2 190.0 2.5 198.0 1.7 199.0 1.7 200.0 1.8 201.0 2.9 202.0 1.5 212.0 1.0 213.0 1.1 214.0 2.2 215.0 1.5 267.0 1.2 269.0 1.2 283.0 5.6 284.0 1.1 295.0 1.4 297.0 1.1 307.0 1.9 308.0 1.4 309.0 4.2 310.0 1.1 322.0 1.1 323.0 2.4 324.0 39.0 325.0 9.5 326.0 4.4 327.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C20 H24 N2 O2 0.040 g : 0.5 ml CDCl3 quinidine 
Assign. Shift(ppm)
A 8.474 B 7.864 C 7.495 D 7.213 E 7.113 F 6.065 G 5.593 J 5.45 K 5.04 L 5.03 M 3.788 N 3.404 O 2.969 P 2.87 Q 2.84 R 2.711 S 2.206 T 2.070 U 1.73 V 1.53 to 1.43 W 1.039 ASSIGNED BY H-H COSY. J(N,P)=-13.6HZ J(N,S)=8.0HZ J(R,Q)=-12.6HZ
Hz ppm Int.3389.28 8.481 189 3384.64 8.470 199 3147.95 7.877 201 3138.67 7.854 217 2997.68 7.501 142 2993.16 7.490 143 2888.79 7.229 100 2885.99 7.222 114 2879.52 7.206 94 2876.83 7.199 112 2843.99 7.117 143 2841.31 7.110 137 2442.26 6.111 34 2434.69 6.093 38 2431.64 6.085 33 2425.54 6.070 46 2424.19 6.066 45 2417.85 6.050 39 2414.92 6.043 44 2407.23 6.024 40 2237.18 5.598 89 2233.76 5.590 91 2026.37 5.071 53 2024.66 5.067 91 2023.44 5.064 82 2018.07 5.050 86 2017.21 5.048 96 2015.38 5.043 62 2007.57 5.024 197 2006.59 5.021 210 1514.04 3.789 1000 1371.22 3.432 31 1365.11 3.416 32 1363.40 3.412 35 1359.50 3.402 37 1357.67 3.398 36 1351.56 3.382 38 1349.73 3.378 38 1188.35 2.974 47 1185.18 2.966 46 1157.35 2.896 41 1146.85 2.870 67 1144.04 2.863 60 1133.67 2.837 82 1123.54 2.812 36 1089.23 2.726 43 1080.57 2.704 32 1076.66 2.695 33 885.74 2.217 42 877.08 2.195 41 838.50 2.099 31 829.10 2.075 35 827.27 2.070 39 825.44 2.066 38 816.16 2.043 32 689.82 1.727 65 601.81 1.506 36 595.09 1.490 30 590.45 1.478 50 590.09 1.477 50 589.84 1.476 50 589.23 1.475 50 580.81 1.454 54 572.88 1.434 33 572.51 1.433 33 570.68 1.428 37 415.77 1.041 40
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
