Product NameTetradifon
CAS116-29-0
Molecular FormulaC12H6Cl4O2S
Molecular Weight356.05
InChI
InChIKey
Smiles
Mass
MS-NW-7324 p-chlorophenyl 2,4,5-trichlorophenyl sulfone C12H6Cl4O2S (Mass of molecular ion: 354)
Source Temperature: 170 °C Sample Temperature: 120 °C Direct, 75 eV
39.0 1.0 45.0 1.2 50.0 10.8 51.0 5.8 61.0 1.9 62.0 1.6 63.0 2.4 69.0 1.5 73.0 5.1 74.0 14.3 75.0 35.5 76.0 7.1 79.0 1.6 84.0 4.6 85.0 5.1 86.0 1.7 87.0 2.2 96.0 1.0 97.0 2.0 99.0 10.5 101.0 3.2 107.0 1.2 108.0 7.1 109.0 8.8 110.0 4.1 111.0 72.2 112.0 5.5 113.0 22.3 114.0 1.8 127.0 33.0 128.0 3.1 129.0 11.1 131.0 5.8 133.0 2.3 143.0 9.0 144.0 5.9 145.0 10.0 146.0 9.5 147.0 4.1 148.0 1.7 150.0 1.8 159.0 100.0 160.0 8.1 161.0 37.4 162.0 3.0 163.0 1.9 167.0 1.7 169.0 1.6 175.0 18.8 176.0 2.7 177.0 7.1 178.0 1.7 179.0 6.9 180.0 1.1 181.0 6.1 183.0 2.4 184.0 2.0 185.0 1.4 195.0 1.9 197.0 1.3 199.0 2.3 201.0 2.0 220.0 5.2 221.0 1.0 222.0 3.3 227.0 53.6 228.0 4.3 229.0 54.7 230.0 4.3 231.0 19.1 232.0 1.5 233.0 2.6 236.0 1.2 254.0 2.2 255.0 1.4 256.0 2.0 257.0 1.1 290.0 1.4 292.0 1.7 354.0 32.3 355.0 5.8 356.0 42.4 357.0 6.6 358.0 21.9 359.0 3.3 360.0 5.3
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C12 H6 Cl4 O2 S | 0.046 g : 0.5 ml CDCl3 |
p-chlorophenyl 2,4,5-trichlorophenyl sulfone |
Assign. Shift(ppm) |
Hz ppm Int.
753.81 8.417 719 714.00 7.973 39 711.63 7.946 374 709.50 7.923 123 704.88 7.871 146 702.69 7.847 574 700.44 7.821 83 678.81 7.580 88 678.06 7.572 38 676.19 7.551 1000 674.38 7.530 169 669.75 7.479 119 667.63 7.455 363 665.31 7.429 40
in CDCl3
KBr disc
nujol mull
Tetradifon(116-29-0) 13C NMR Atlas of Related Products
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