Molecular FormulaC12H12N2O2S
Molecular Weight248.30088
InChIInChI=1S/C12H12N2O2S/c15-9-6-10-11(16)14(12(17)13(10)7-9)8-4-2-1-3-5-8/h1-5,9-10,15H,6-7H2
InChIKey FVSSRXSXSBLAOD-UHFFFAOYSA-N
SmilesN12C(CC(O)C1)C(=O)N(C1=CC=CC=C1)C2=S
Mass
MS-NW-2065 7-hydroxy-3-phenyl-2-thioxo-1,3-diazabicyclo(3.3.0)octan-4-one C12H12N2O2S (Mass of molecular ion: 248)
Source Temperature: 210 °C Sample Temperature: 140 °C Direct, 75 eV
15.0 1.7 17.0 1.1 18.0 5.8 27.0 6.6 28.0 6.1 29.0 1.9 30.0 2.4 31.0 1.1 38.0 1.5 39.0 4.0 40.0 1.0 41.0 18.6 42.0 4.2 43.0 3.0 44.0 1.5 45.0 1.5 50.0 2.5 51.0 9.7 52.0 1.2 54.0 1.3 55.0 5.7 56.0 33.8 57.0 4.5 58.0 2.0 63.0 1.5 64.0 1.9 65.0 2.0 67.0 1.4 68.0 19.5 69.0 7.0 70.0 1.6 72.0 1.1 76.0 1.4 77.0 27.9 78.0 2.9 84.0 3.3 85.0 17.1 86.0 1.4 91.0 2.9 93.0 2.1 95.0 1.8 101.0 3.4 103.0 1.2 104.0 6.9 105.0 2.0 108.0 1.0 109.0 2.2 111.0 1.4 117.0 1.5 118.0 1.0 119.0 2.8 130.0 1.1 135.0 100.0 136.0 14.5 137.0 5.2 144.0 1.4 162.0 1.2 163.0 1.3 187.0 2.8 198.0 1.0 204.0 2.4 205.0 1.3 215.0 1.3 219.0 7.6 220.0 1.3 228.0 3.7 231.0 6.9 232.0 3.0 247.0 7.0 248.0 95.5 249.0 14.2 250.0 5.6
KBr disc
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