Molecular Formula
Molecular Weight
InChI
InChIKey
Smiles
Mass
MS-IW-7106 1-(p-chlorophenyl)-3-(5,6-dihydro-4H-benzo(6,7)cyclohepta(1,2-d)thiazol-2-yl)urea C19H16ClN3OS (Mass of molecular ion: 369)
Source Temperature: 190 °C Sample Temperature: 210 °C Direct, 75 eV
17.0 1.5 18.0 7.8 27.0 2.5 28.0 2.9 34.0 1.0 37.0 3.3 38.0 4.0 39.0 7.5 40.0 1.0 41.0 2.0 44.0 1.9 44.5 5.4 45.0 3.9 45.5 6.0 49.0 1.5 50.0 4.7 51.0 4.7 52.0 2.8 59.0 2.7 60.0 3.0 61.0 3.6 62.0 6.3 62.5 3.1 63.0 15.0 63.5 6.3 64.0 8.4 64.5 1.8 65.0 16.1 66.0 2.1 69.0 1.5 71.0 2.6 72.0 1.6 73.0 4.1 74.0 3.4 75.0 4.9 76.0 2.1 76.5 6.6 77.0 4.9 77.5 2.2 78.0 1.4 79.0 1.4 85.0 1.7 85.5 1.1 86.0 3.6 87.0 2.1 88.0 2.1 89.0 7.6 90.0 22.7 91.0 6.6 92.0 13.0 93.0 1.7 94.0 2.7 95.0 1.0 98.0 2.8 99.0 4.9 100.0 10.1 100.5 3.0 101.0 3.8 102.0 4.9 103.0 2.5 104.0 1.1 107.0 5.5 107.5 1.1 108.0 3.4 113.0 1.0 114.0 1.4 115.0 12.1 116.0 6.1 117.0 2.3 120.0 1.3 121.0 1.8 125.0 30.5 126.0 5.2 127.0 90.8 128.0 17.7 129.0 33.9 130.0 10.3 131.0 2.3 139.0 2.9 140.0 6.1 141.0 18.0 142.0 4.7 143.0 2.0 145.0 1.2 146.0 2.1 147.0 2.2 153.0 100.0 154.0 11.2 155.0 33.9 156.0 15.3 157.0 8.4 158.0 4.2 159.0 3.1 160.0 1.3 166.0 1.8 167.0 1.5 168.0 2.0 169.0 3.9 170.0 1.6 171.0 3.6 172.0 2.8 173.0 13.6 174.0 13.7 175.0 2.2 181.0 2.6 182.0 2.3 183.0 17.3 184.0 3.2 186.0 1.7 187.0 1.6 188.0 4.2 198.0 1.1 199.0 1.1 200.0 2.6 201.0 12.7 202.0 1.8 209.0 6.5 210.0 1.2 213.0 2.5 214.0 3.5 215.0 13.3 216.0 76.6 217.0 11.7 218.0 4.3 227.0 7.0 228.0 1.1 241.0 5.4 242.0 35.3 243.0 6.0 244.0 2.1
KBr disc
nujol mull
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