Product Name2-Chloro-1,4-dibromo-1,1,2-trifluorobutane
CAS378-13-2
Molecular FormulaC4H4Br2ClF3
Molecular Weight304.33
InChIInChI=1S/C4H4Br2ClF3/c5-2-1-3(7,8)4(6,9)10/h1-2H2
InChIKey RJOGGYLEOPNVJV-UHFFFAOYSA-N
SmilesC(Br)(F)(F)C(Cl)(F)CCBr
Mass
MS-IW-8214 1,4-dibromo-2-chloro-1,1,2-trifluorobutane C4H4Br2ClF3 (Mass of molecular ion: 302)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 2.4 27.0 19.2 28.0 2.2 31.0 5.7 33.0 2.3 37.0 2.0 38.0 3.1 39.0 8.3 45.0 2.2 47.0 2.9 49.0 3.5 50.0 1.6 51.0 3.8 56.0 2.3 57.0 10.8 58.0 1.3 59.0 7.4 63.0 2.2 64.0 2.1 65.0 26.1 66.0 1.2 67.0 8.6 68.0 1.1 69.0 11.1 73.0 1.4 75.0 3.5 77.0 4.4 79.0 1.4 80.0 1.2 81.0 7.1 82.0 1.5 83.0 2.2 85.0 6.8 87.0 2.8 88.0 2.2 89.0 3.7 91.0 1.0 93.0 41.4 94.0 1.8 95.0 37.9 96.0 1.2 105.0 1.5 106.0 1.6 107.0 19.2 108.0 31.2 109.0 16.9 111.0 5.3 113.0 3.9 116.0 9.4 117.0 1.0 118.0 3.0 123.0 2.9 124.0 5.4 125.0 4.9 126.0 2.0 127.0 6.9 129.0 13.5 131.0 10.0 137.0 5.4 139.0 5.2 141.0 2.5 142.0 1.0 143.0 100.0 144.0 4.8 145.0 33.5 146.0 1.4 147.0 3.9 155.0 1.6 157.0 1.6 173.0 21.8 175.0 27.4 176.0 1.5 177.0 6.7 178.0 1.0 187.0 26.4 188.0 1.5 189.0 26.0 190.0 1.3 197.0 1.2 203.0 2.0 205.0 2.5 223.0 68.7 224.0 3.4 225.0 89.8 226.0 3.9 227.0 21.8 302.0 7.1 304.0 16.0 306.0 11.1 308.0 2.1
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C4 H4 Br2 Cl F3 | 0.05 ml : 0.5 ml CDCl3 |
1,4-dibromo-2-chloro-1,1,2-trifluorobutane |
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Assign. Shift(ppm) |
Hz ppm Int.
1465.82 3.668 423 1460.69 3.655 465 1455.57 3.643 831 1450.32 3.629 860 1444.70 3.615 833 1439.45 3.602 797 1428.10 3.574 831 1422.97 3.561 883 1417.97 3.549 585 1416.63 3.545 957 1412.84 3.536 591 1411.50 3.532 1000 1406.49 3.520 589 1401.37 3.507 557 1187.50 2.972 235 1182.37 2.959 253 1179.81 2.953 275 1176.39 2.944 252 1175.54 2.942 257 1174.68 2.940 320 1172.85 2.935 434 1172.12 2.933 349 1171.26 2.931 286 1168.33 2.924 414 1167.72 2.922 488 1165.16 2.916 424 1164.43 2.914 356 1163.57 2.912 325 1162.48 2.909 336 1161.74 2.907 438 1161.01 2.906 365 1160.03 2.903 417 1156.62 2.895 374 1154.05 2.888 375 1148.93 2.875 331 1128.78 2.825 214 1128.05 2.823 360 1127.20 2.821 234 1123.54 2.812 212 1122.68 2.810 357 1121.95 2.808 231 1117.43 2.797 205 1116.58 2.794 354 1115.84 2.793 233 1114.14 2.788 171 1113.40 2.786 266 1112.30 2.784 271 1111.33 2.781 357 1110.60 2.779 232 1108.89 2.775 151 1108.15 2.773 229 1107.30 2.771 148 1102.66 2.760 150 1101.93 2.758 253 1100.46 2.754 249 1099.73 2.752 367 1098.88 2.750 247 1097.53 2.747 168 1096.68 2.745 248 1095.34 2.741 242 1094.48 2.739 358 1093.75 2.737 227 1088.99 2.725 203 1088.26 2.724 341 1087.40 2.721 227 1085.82 2.717 182 1085.08 2.716 281 1083.98 2.713 274 1083.01 2.710 344 1082.28 2.709 225 1080.69 2.705 164 1079.83 2.702 252 1079.10 2.701 158 1074.34 2.689 144 1073.61 2.687 239 1072.75 2.685 153 1069.21 2.676 133 1068.36 2.674 222 1067.63 2.672 140
in CDCl3
liquid film
2-Chloro-1,4-dibromo-1,1,2-trifluorobutane(378-13-2) 13C NMR Atlas of Related Products
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