Product NameCinchonine
CAS118-10-5
Molecular FormulaC19H22N2O
Molecular Weight294.39
InChIInChI=1S/C19H22N2O/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/t13-,14-,18+,19-/m0/s1
InChIKey KMPWYEUPVWOPIM-QAMTZSDWSA-N
Smiles[C@@H](O)([C@@H]1[N@]2CC[C@H]([C@H](C2)C=C)C1)C1=CC=NC2=CC=CC=C12
Mass
MS-IW-0991 cinchonine C19H22N2O (Mass of molecular ion: 294)
Source Temperature: 180 °C Sample Temperature: 140 °C Direct, 75 eV
17.0 1.1 18.0 7.5 29.0 1.0 30.0 1.1 39.0 1.1 41.0 4.2 42.0 6.2 43.0 1.1 44.0 3.0 53.0 2.3 54.0 1.1 55.0 7.3 56.0 3.8 57.0 1.1 66.0 1.0 67.0 2.7 68.0 1.9 69.0 1.6 70.0 1.8 77.0 2.2 79.0 5.7 80.0 2.4 81.0 11.9 82.0 7.7 83.0 1.7 91.0 1.2 93.0 3.3 94.0 2.9 95.0 6.6 96.0 1.7 105.0 1.9 107.0 1.4 108.0 3.7 109.0 2.2 110.0 2.7 111.0 2.2 115.0 1.1 121.0 1.0 122.0 2.6 123.0 1.4 124.0 3.9 126.0 2.4 128.0 2.1 129.0 2.6 130.0 6.4 134.0 1.7 135.0 1.0 136.0 100.0 137.0 12.4 138.0 10.9 139.0 2.4 142.0 2.4 143.0 10.7 144.0 1.7 152.0 1.4 154.0 1.5 156.0 3.2 157.0 1.6 158.0 3.6 159.0 13.0 160.0 1.6 166.0 1.1 167.0 1.7 168.0 2.5 169.0 1.8 170.0 1.7 171.0 1.5 172.0 1.5 183.0 1.1 184.0 1.9 237.0 1.1 239.0 1.3 253.0 4.1 265.0 1.1 267.0 1.6 277.0 1.6 293.0 1.9 294.0 21.8 295.0 5.2 296.0 3.8
KBr disc
nujol mull
Cinchonine(118-10-5) 1H NMR Atlas of Related Products
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