Reserpine(50-55-5) 1H NMR
Molecular FormulaC33H40N2O9
Molecular Weight608.69
InChIInChI=1/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/s3
InChIKey QEVHRUUCFGRFIF-SYDNJRQYNA-N
SmilesC([C@@H]1[C@H]([C@H](OC(C2C=C(OC)C(OC)=C(OC)C=2)=O)C[C@]2([H])CN3CCC4C5C=CC(OC)=CC=5NC=4[C@@]3([H])C[C@]12[H])OC)(=O)OC |&1:1,2,3,20,37,40,r|
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MassMS-NW-9072 reserpine C33H40N2O9 (Mass of molecular ion: 608)
Source Temperature: 250 °C Sample Temperature: 220 °C Direct, 75 eV
77.0 1.4 81.0 1.3 93.0 1.5 97.0 1.0 109.0 1.2 111.0 1.1 137.0 1.8 139.0 1.2 141.0 1.8 143.0 1.0 151.0 1.2 152.0 2.3 154.0 1.7 160.0 1.9 161.0 1.1 167.0 1.5 168.0 1.9 169.0 2.4 170.0 1.1 172.0 1.3 173.0 2.5 174.0 3.3 181.0 1.3 182.0 1.3 183.0 1.0 184.0 1.6 185.0 1.2 186.0 5.4 187.0 2.4 195.0 19.9 196.0 2.8 197.0 9.3 198.0 3.1 199.0 6.2 200.0 8.4 201.0 1.9 211.0 1.1 212.0 20.2 213.0 4.5 214.0 10.7 215.0 2.1 224.0 1.9 225.0 1.9 226.0 1.8 227.0 2.8 228.0 1.6 236.0 2.1 237.0 1.4 238.0 2.5 239.0 3.0 240.0 1.4 241.0 1.6 249.0 1.4 250.0 1.4 251.0 9.1 252.0 3.9 253.0 4.0 254.0 6.0 255.0 1.8 263.0 1.0 265.0 3.4 266.0 1.1 267.0 3.4 268.0 1.0 277.0 1.0 279.0 1.9 287.0 1.2 289.0 1.0 297.0 2.1 298.0 1.2 299.0 2.6 300.0 3.0 301.0 2.0 302.0 1.9 303.0 2.0 304.0 1.7 305.0 1.8 306.0 1.1 307.0 1.0 313.0 1.1 314.0 1.3 321.0 1.9 323.0 2.2 328.0 1.9 329.0 1.2 330.0 1.1 335.0 1.1 337.0 3.4 341.0 1.0 345.0 1.0 347.0 1.5 349.0 1.4 357.0 1.2 358.0 3.0 359.0 3.4 360.0 4.1 361.0 2.4 362.0 2.6 363.0 4.7 364.0 3.1 365.0 12.1 366.0 4.5 367.0 1.9 369.0 1.9 377.0 1.3 379.0 8.2 380.0 2.8 381.0 25.7 382.0 6.8 383.0 1.3 392.0 1.1 393.0 1.8 394.0 7.5 395.0 29.1 396.0 29.1 397.0 28.5 398.0 7.1 399.0 1.2 413.0 3.0 448.0 2.8 450.0 1.2 463.0 1.3 577.0 5.5 578.0 2.9 579.0 1.3 593.0 10.6 594.0 4.9 607.0 44.8 608.0 100.0 609.0 35.1
KBr disc
nujol mull
