Product NameCINCHONIDINE DIHYDROCHLORIDE
Molecular FormulaC19H24Cl2N2O
Molecular Weight367.31
InChIInChI=1S/C19H22N2O.2ClH/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;;/h2-7,9,13-14,18-19,22H,1,8,10-12H2;2*1H/t13-,14-,18-,19+;;/m0../s1
InChIKey ZDBQDNUZNQOCTH-WESSAKMQSA-N
Smiles[C@@]1([H])(C[C@]2([H])CCN1C[C@@H]2C=C)[C@H](O)C1=CC=NC2C=CC=CC1=2.Cl.Cl
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C19 H22 N2 O | 0.031 g : 0.5 ml DMSO-d6 |
cinchonidine dihydrochloride |
Assign. Shift(ppm) |
Hz ppm Int.
4808.85 12.033 272 4807.57 12.030 289 4807.20 12.029 292 4806.84 12.028 287 3718.65 9.305 635 3713.15 9.292 659 3632.01 9.088 436 3623.40 9.067 453 3404.52 8.519 471 3395.91 8.498 537 3275.38 8.196 288 3268.24 8.178 1000 3262.93 8.165 664 3260.55 8.159 344 3260.00 8.158 344 3196.26 7.998 287 3188.75 7.979 408 3180.69 7.959 239 2611.77 6.536 653 2317.24 5.799 182 2310.10 5.781 314 2303.14 5.763 191 2300.02 5.756 198 2292.70 5.737 178 2042.31 5.111 506 2025.09 5.068 455 1990.10 4.980 516 1979.85 4.954 492 1449.40 3.627 206 1448.48 3.625 214 1447.75 3.623 212 1447.20 3.622 209 1446.65 3.620 210 1445.92 3.618 214 1445.18 3.617 215 1444.82 3.616 210 1444.45 3.615 205 1438.96 3.601 175 1438.59 3.600 177 1414.96 3.541 289 1403.60 3.513 170 1290.22 3.229 173 1229.96 3.078 169 1094.05 2.738 169 1093.69 2.737 173 1093.14 2.736 175 1092.77 2.735 175 1092.22 2.733 177 1091.86 2.733 175 1090.94 2.730 172 1090.57 2.729 171 1090.21 2.728 171 1089.66 2.727 171 1088.74 2.725 170 1088.38 2.724 169 1086.54 2.719 169 1085.26 2.716 169 1084.71 2.715 171 1084.35 2.714 170 831.39 2.081 175 829.93 2.077 192 829.01 2.075 199 828.65 2.074 203 828.10 2.073 195 827.18 2.070 184 825.53 2.066 206 824.98 2.065 214 823.15 2.060 246 822.60 2.059 250 822.23 2.058 250 821.68 2.056 249 820.95 2.055 244 817.84 2.047 296 817.11 2.045 302 816.37 2.043 300 815.64 2.041 286 812.71 2.034 204 811.98 2.032 203 811.61 2.031 205 810.88 2.029 199 800.07 2.002 455 798.24 1.998 385 797.51 1.996 376 745.67 1.866 169 745.30 1.865 171 744.75 1.864 171 744.21 1.863 171 743.84 1.862 172 743.47 1.861 171 743.11 1.860 171 599.32 1.500 200 598.77 1.499 204 598.22 1.497 206 597.67 1.496 207 597.31 1.495 205 596.94 1.494 207 596.57 1.493 204
in D2O
KBr disc
nujol mull
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