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YOHIMBINIC ACID MONOHYDRATE(522-87-2) MS
Product NameYOHIMBINIC ACID MONOHYDRATE
CAS522-87-2
Molecular FormulaC20H24N2O3
Molecular Weight340.42
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MassMS-NW-7666 yohimbinic acid C20H24N2O3 H2O (Mass of molecular ion: 340)
Source Temperature: 230 °C Sample Temperature: 200 °C Direct, 75 eV
15.0 1.8 17.0 2.3 18.0 8.8 27.0 7.9 28.0 8.3 29.0 8.5 30.0 3.2 31.0 3.4 39.0 10.5 40.0 2.1 41.0 19.6 42.0 15.2 43.0 9.2 44.0 8.4 45.0 2.2 50.0 1.2 51.0 4.4 52.0 2.3 53.0 7.3 54.0 4.1 55.0 7.7 56.0 2.5 57.0 4.5 63.0 3.1 64.0 1.2 65.0 4.4 66.0 2.1 67.0 7.9 68.0 2.9 69.0 2.1 70.0 1.3 71.0 1.0 75.0 1.9 76.0 2.3 77.0 11.1 78.0 3.3 79.0 8.1 80.0 2.9 81.0 4.2 82.0 1.6 83.0 1.4 88.0 1.0 89.0 3.3 90.0 2.2 91.0 6.9 92.0 4.0 93.0 4.9 94.0 2.6 95.0 2.3 101.0 2.5 102.0 4.0 103.0 3.5 104.0 1.6 105.0 2.7 106.0 2.1 107.0 2.4 108.0 1.0 109.0 2.1 110.0 1.4 111.0 1.7 113.0 1.6 114.0 2.5 115.0 13.9 116.0 5.3 117.0 6.3 118.0 2.7 123.0 1.0 125.0 1.1 126.0 1.1 127.0 5.6 128.0 10.8 129.0 11.8 130.0 11.5 131.0 3.7 132.0 1.7 134.0 1.4 138.0 1.4 139.0 1.8 140.0 4.3 141.0 3.6 142.0 12.5 143.0 18.1 144.0 18.1 145.0 3.2 152.0 1.9 153.0 1.9 154.0 12.3 155.0 9.5 156.0 28.5 157.0 9.7 158.0 2.7 161.0 1.1 166.0 2.2 167.0 8.7 168.0 14.8 169.0 51.6 170.0 33.0 171.0 10.3 172.0 3.0 178.0 1.3 179.0 1.0 180.0 5.4 181.0 3.8 182.0 6.2 183.0 10.4 184.0 26.4 185.0 6.3 191.0 1.0 192.0 1.2 193.0 2.0 194.0 3.1 195.0 4.5 196.0 3.5 197.0 5.1 198.0 4.3 204.0 1.3 205.0 1.2 206.0 2.7 207.0 2.6 208.0 2.5 209.0 6.7 210.0 5.4 211.0 4.6 212.0 3.8 218.0 1.7 219.0 2.3 220.0 2.1 221.0 5.9 222.0 2.4 223.0 6.5 224.0 2.3 225.0 2.0 232.0 1.3 233.0 1.6 234.0 2.9 235.0 3.0 236.0 2.0 237.0 2.1 247.0 1.6 248.0 1.2 249.0 1.8 251.0 2.3 252.0 1.0 253.0 1.9 254.0 1.0 255.0 1.8 261.0 1.1 263.0 1.3 266.0 1.0 267.0 3.3 268.0 2.1 269.0 2.0 270.0 1.7 271.0 1.7 272.0 1.3 273.0 1.8 274.0 1.5 275.0 2.4 276.0 1.9 277.0 12.2 278.0 7.3 279.0 2.7 281.0 1.0 293.0 3.6 294.0 2.5 295.0 6.4 296.0 3.2 297.0 1.2 298.0 1.8 311.0 3.8 312.0 2.5 321.0 3.1 322.0 2.1 323.0 2.2 337.0 2.3 338.0 4.2 339.0 100.0 340.0 93.1 341.0 21.3 342.0 2.9
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C20 H24 N2 O3 0.053 g : 0.5 ml DMSO-d6 yohimbinic acid 
Assign. Shift(ppm)
A 10.9 B 7.339 C 7.275 D 6.997 E 6.932 F 4.123 G 3.334 J *1 3.028 K 2.86 L *1 2.78 M *2 2.60 N *2 2.53 P 2.169 Q 2.124 R 1.830 S 1.742 T 1.475 U 1.394 V 1.248 W 1.022 SOLVENT SIGNAL AT 2.50 PPM REMOVED. PARTIALLY ASSIGNED
Hz ppm Int.4335.00 10.847 1000 2937.26 7.350 658 2929.38 7.330 730 2911.98 7.287 758 2904.84 7.269 616 2903.92 7.267 928 2805.38 7.020 334 2804.28 7.017 362 2798.23 7.002 590 2797.32 7.000 700 2790.36 6.983 513 2789.08 6.979 507 2777.54 6.950 555 2776.44 6.948 586 2769.66 6.931 719 2768.93 6.929 653 2762.88 6.914 358 2761.78 6.911 369 1649.23 4.127 555 1647.03 4.122 564 1338.40 3.349 299 1338.03 3.349 299 1327.59 3.322 301 1326.86 3.321 303 1218.24 3.049 209 1212.75 3.035 244 1212.38 3.034 243 1207.43 3.022 262 1202.30 3.009 234 1151.57 2.882 276 1148.82 2.875 326 1140.39 2.854 346 1139.66 2.852 336 1138.93 2.850 330 1138.38 2.849 332 1117.50 2.797 220 1115.48 2.792 185 1108.16 2.773 173 1106.88 2.770 164 1106.33 2.769 165 1046.43 2.619 332 1031.23 2.581 298 1028.11 2.573 280 1025.18 2.566 179 1023.53 2.562 204 1016.57 2.544 367 1012.36 2.534 333 1007.78 2.522 276 1007.42 2.521 272 1007.05 2.520 275 1005.40 2.516 287 1002.29 2.508 307 1001.37 2.506 312 997.34 2.496 339 993.50 2.486 364 993.13 2.485 375 990.38 2.479 405 877.55 2.196 225 877.18 2.195 225 866.93 2.170 418 856.30 2.143 608 853.74 2.137 449 844.76 2.114 481 842.20 2.108 474 737.06 1.845 223 736.33 1.843 218 734.86 1.839 222 726.44 1.818 231 725.34 1.815 221 723.87 1.812 228 704.82 1.764 237 702.44 1.758 176 694.38 1.738 306 692.19 1.732 279 602.80 1.509 229 589.43 1.475 283 578.62 1.448 229 577.34 1.445 217 576.97 1.444 219 576.61 1.443 220 565.07 1.414 301 564.70 1.413 301 560.67 1.403 230 559.94 1.402 229 559.39 1.400 229 559.02 1.399 229 558.66 1.398 232 553.16 1.385 332 544.19 1.362 159 542.36 1.358 177 541.81 1.356 176 502.61 1.258 270 499.68 1.251 207 499.31 1.250 204 497.48 1.245 192 493.82 1.236 265 415.06 1.039 371 402.97 1.009 362
KBr disc
nujol mull
