α-Chloralose(15879-93-3) 1H NMR
Product Nameα-Chloralose
CAS15879-93-3
Molecular FormulaC8H11Cl3O6
Molecular Weight309.53
InChIInChI=1/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h2-7,12-14H,1H2/t2-,3+,4-,5-,6-,7-/s3
InChIKey OJYGBLRPYBAHRT-WGURAVEQNA-N
Smiles[C@H]12O[C@@H](C(Cl)(Cl)Cl)O[C@H]1O[C@H]([C@H](O)CO)[C@@H]2O |&1:0,2,8,10,11,15,r|
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MassMS-IW-2511 alpha-chloralose C8H11Cl3O6 (Mass of molecular ion: 308)
Source Temperature: 180 °C Sample Temperature: 140 °C Direct, 75 eV
15.0 5.4 19.0 9.6 26.0 1.1 27.0 8.2 28.0 2.7 29.0 16.9 30.0 2.2 31.0 22.8 36.0 4.1 38.0 1.4 39.0 4.2 41.0 8.7 42.0 4.6 43.0 25.6 44.0 7.5 45.0 16.4 47.0 2.6 48.0 1.7 49.0 1.9 53.0 2.2 54.0 3.7 55.0 7.5 56.0 4.4 57.0 17.7 58.0 1.7 59.0 8.6 60.0 32.9 61.0 43.6 62.0 1.5 63.0 1.4 65.0 1.1 68.0 1.8 69.0 10.7 70.0 1.1 71.0 100.0 72.0 23.7 73.0 91.3 74.0 8.8 75.0 1.6 76.0 1.2 77.0 1.7 81.0 2.0 82.0 1.3 83.0 7.8 84.0 3.4 85.0 40.9 86.0 3.2 87.0 1.9 89.0 3.4 91.0 34.7 92.0 1.3 93.0 1.4 95.0 2.0 96.0 1.1 97.0 6.2 98.0 1.4 99.0 4.3 101.0 13.6 102.0 4.7 103.0 4.8 109.0 2.2 111.0 3.6 112.0 4.5 113.0 54.8 114.0 5.4 115.0 4.1 117.0 2.1 119.0 5.1 120.0 14.9 121.0 1.5 125.0 3.0 127.0 15.8 128.0 1.1 129.0 1.8 130.0 1.5 131.0 12.1 132.0 1.5 143.0 1.1 145.0 6.1 152.0 2.6 153.0 4.4 154.0 3.2 155.0 6.0 156.0 1.4 157.0 1.6 161.0 1.1 173.0 4.0 183.0 1.6 185.0 1.1 188.0 14.5 189.0 3.9 190.0 13.9 191.0 15.5 192.0 4.9 193.0 1.2 195.0 1.1 201.0 5.2 203.0 4.9 205.0 1.6 213.0 1.3 217.0 4.8 218.0 1.1 219.0 4.7 221.0 1.7 229.0 1.5 230.0 7.7 231.0 2.6 232.0 7.5 233.0 1.5 234.0 2.4 247.0 12.1 248.0 1.0 249.0 11.5 251.0 3.8 259.0 1.2 261.0 1.2 277.0 1.6 279.0 1.5
KBr disc
nujol mull
