4-bromo-1,1,2,2-tetrafluorobutane(SALTDATA: FREE)(234443-20-0) MS
Product Name4-bromo-1,1,2,2-tetrafluorobutane(SALTDATA: FREE)
CAS234443-20-0
Molecular FormulaC4H5BrF4
Molecular Weight208.98
InChIInChI=1S/C4H5BrF4/c5-2-1-4(8,9)3(6)7/h3H,1-2H2
InChIKey FBWAAGBNRJEZIO-UHFFFAOYSA-N
SmilesC(F)(F)C(F)(F)CCBr
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MassMS-IW-8223 4-bromo-1,1,2,2-tetrafluorobutane C4H5BrF4 (Mass of molecular ion: 208)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 3.6 27.0 25.6 28.0 4.2 31.0 4.6 32.0 1.0 33.0 5.5 38.0 1.4 39.0 8.8 45.0 2.1 47.0 10.6 50.0 1.0 51.0 60.6 56.0 1.3 57.0 6.0 59.0 24.0 64.0 2.4 65.0 33.3 69.0 6.1 75.0 4.0 76.0 1.1 77.0 60.7 78.0 3.3 79.0 2.0 82.0 3.0 83.0 3.7 89.0 34.2 90.0 3.7 93.0 19.7 95.0 20.5 100.0 1.0 101.0 9.9 106.0 1.3 107.0 14.0 108.0 6.0 109.0 86.7 110.0 3.9 111.0 3.8 113.0 3.8 127.0 1.1 129.0 100.0 130.0 4.7 131.0 1.7 137.0 1.5 139.0 1.4 143.0 1.1 145.0 1.1 155.0 1.0 157.0 12.8 159.0 11.7 169.0 1.0 171.0 1.0 188.0 4.2 190.0 4.2 208.0 83.6 209.0 3.8 210.0 81.2 211.0 3.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C4 H5 Br F4 0.05 ml : 0.5 ml CDCl3 4-bromo-1,1,2,2-tetrafluorobutane 
Assign. Shift(ppm)
A 5.760 B 3.500 C 2.597
Hz ppm Int.2358.64 5.902 175 2356.08 5.896 349 2353.52 5.889 179 2304.81 5.768 352 2302.25 5.761 700 2299.68 5.755 367 2250.98 5.633 180 2248.41 5.626 360 2245.85 5.620 184 1407.35 3.522 868 1405.03 3.516 132 1403.69 3.513 119 1399.29 3.502 909 1393.31 3.487 148 1391.11 3.481 1000 1064.82 2.665 96 1063.60 2.662 178 1062.26 2.658 107 1057.98 2.648 61 1056.64 2.644 152 1055.54 2.642 192 1054.44 2.639 162 1047.49 2.622 309 1046.26 2.618 383 1045.17 2.616 215 1042.85 2.610 51 1039.55 2.602 270 1038.33 2.599 367 1031.25 2.581 185 1030.27 2.578 349 1029.17 2.576 335 1027.95 2.573 151 1025.76 2.567 36 1023.56 2.562 66 1022.22 2.558 159 1021.12 2.556 198 1020.02 2.553 167 1014.28 2.538 98 1012.94 2.535 166 1011.72 2.532 96
in CDCl3
liquid film
