Vincamine(1617-90-9) MS
Molecular FormulaC21H26N2O3
Molecular Weight354.44
InChIInChI=1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3/t18-,20+,21+/m1/s1
InChIKey RXPRRQLKFXBCSJ-GIVPXCGWSA-N
SmilesC12[C@]3([H])[C@]4(CC)C[C@@](C(OC)=O)(O)N1C1C=CC=CC=1C=2CCN3CCC4
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MassMS-IW-1760 vincamine C21H26N2O3 (Mass of molecular ion: 354)
Source Temperature: 120 °C Sample Temperature: 110 °C Direct, 75 eV
41.0 1.5 42.0 1.4 44.0 1.1 55.0 1.3 70.0 1.0 77.0 1.0 92.0 1.3 105.0 1.3 110.0 1.1 111.0 1.0 115.0 1.7 118.0 1.1 119.0 1.5 124.0 1.4 126.0 1.0 130.0 1.6 133.0 5.8 138.0 1.8 143.0 2.2 144.0 3.2 147.0 5.3 152.0 1.4 154.0 1.4 156.0 1.6 157.0 1.5 167.0 4.9 168.0 6.4 169.0 2.9 170.0 4.1 171.0 1.6 177.0 2.1 180.0 4.1 181.0 2.0 182.0 2.4 183.0 1.3 184.0 1.6 185.0 2.4 193.0 1.3 194.0 1.9 195.0 1.5 196.0 3.4 197.0 6.1 198.0 2.3 206.0 1.2 207.0 1.1 208.0 1.8 209.0 4.4 210.0 2.3 211.0 1.1 221.0 1.0 222.0 2.1 223.0 3.5 224.0 12.6 225.0 3.3 226.0 1.1 235.0 1.2 236.0 2.1 237.0 8.2 238.0 4.0 248.0 1.8 249.0 1.0 251.0 8.3 252.0 55.0 253.0 14.8 254.0 1.9 263.0 1.3 264.0 3.5 265.0 6.1 266.0 10.0 267.0 30.7 268.0 6.3 278.0 1.4 284.0 9.3 285.0 1.8 293.0 4.3 294.0 6.2 295.0 26.3 296.0 5.8 307.0 8.9 308.0 2.7 311.0 1.1 325.0 3.1 336.0 1.7 337.0 1.1 339.0 4.3 340.0 1.0 353.0 28.4 354.0 100.0 355.0 23.3 356.0 3.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C21 H26 N2 O3 0.038 g : 0.5 ml CDCl3 vincamine 
Assign. Shift(ppm)
A 7.479 B 7.11 C 4.67 D 3.91 E 3.809 F *1 3.32 G *1 3.28 J *2 2.980 K *2 2.57 L *2 2.50 M *3 2.233 N *4 2.211 P *4 2.120 Q *5 1.71 R *6 1.68 S *3 1.48 T *5 1.44 U *6 1.36 V 0.902 ASSIGNED BY C-H AND H-H COSY
Hz ppm Int.2994.14 7.492 48 2993.29 7.490 47 2991.09 7.485 42 2990.11 7.482 46 2988.28 7.478 52 2985.23 7.470 58 2984.50 7.468 51 2850.59 7.133 106 2847.17 7.125 111 2844.24 7.117 140 2841.19 7.110 272 2837.89 7.101 158 2835.08 7.094 52 2834.23 7.092 38 1867.80 4.674 47 1563.60 3.913 84 1522.34 3.810 1000 1327.51 3.322 54 1326.54 3.320 55 1320.56 3.305 81 1316.16 3.294 42 1310.42 3.279 42 1304.93 3.266 40 1031.86 2.582 50 1027.71 2.572 41 1025.39 2.566 32 1021.97 2.558 32 1021.00 2.555 30 1020.02 2.553 31 1011.35 2.531 37 1008.30 2.523 52 1006.47 2.519 36 1004.39 2.514 33 999.63 2.502 31 996.83 2.495 37 904.66 2.264 36 896.97 2.245 44 892.82 2.235 81 890.26 2.228 48 882.57 2.209 44 878.54 2.199 146 852.29 2.133 151 838.01 2.097 82 684.57 1.713 35 682.01 1.707 71 677.86 1.697 31 670.78 1.679 41 668.58 1.673 44 593.63 1.486 45 591.19 1.480 53 583.50 1.461 62 576.54 1.443 43 569.09 1.424 32 541.99 1.357 35 539.79 1.351 38 368.04 0.921 170 360.47 0.902 351 352.91 0.884 152
in CDCl3
KBr disc
nujol mull
