1-Bromo-4-chlorobutane(6940-78-9) 1H NMR
Product Name1-Bromo-4-chlorobutane
CAS6940-78-9
Molecular FormulaC4H8BrCl
Molecular Weight171.46
InChIInChI=1S/C4H8BrCl/c5-3-1-2-4-6/h1-4H2
InChIKey NIDSRGCVYOEDFW-UHFFFAOYSA-N
SmilesC(Br)CCCCl
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MassMS-NW-9671 1-bromo-4-chlorobutane C4H8BrCl (Mass of molecular ion: 170)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 2.4 27.0 20.5 28.0 3.6 29.0 17.7 39.0 10.4 41.0 15.9 42.0 1.3 49.0 3.2 50.0 1.0 51.0 1.8 53.0 5.2 54.0 2.3 55.0 100.0 56.0 5.7 62.0 6.2 63.0 7.9 64.0 2.1 65.0 2.5 75.0 2.3 90.0 4.2 91.0 71.7 92.0 4.5 93.0 23.6 94.0 1.0 95.0 1.4 106.0 1.9 107.0 4.7 108.0 2.0 109.0 4.3 134.0 1.9 136.0 1.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C4 H8 Br Cl 0.05 ml : 0.5 ml CDCl3 1-bromo-4-chlorobutane 
Assign. Shift(ppm)
A 3.581 B 3.449 C 2.027 D 1.946
Hz ppm Int.1437.50 3.597 670 1431.15 3.582 979 1424.93 3.566 598 1385.25 3.467 566 1378.91 3.451 1000 1372.44 3.435 696 826.29 2.068 81 824.95 2.065 78 819.82 2.052 242 818.24 2.048 224 815.55 2.041 141 813.23 2.035 308 811.52 2.031 373 808.96 2.025 240 806.64 2.019 152 804.81 2.014 390 802.61 2.009 208 798.83 1.999 170 797.49 1.996 150 790.41 1.978 143 788.94 1.975 177 785.28 1.965 197 783.08 1.960 365 781.13 1.955 168 779.05 1.950 237 776.61 1.944 340 774.66 1.939 304 772.58 1.934 150 769.78 1.927 217 768.07 1.922 228 763.18 1.910 78 761.72 1.906 80
in CDCl3
liquid film
4880 A,200 M,liquid
