1,2-Dibromo-3-chloropropane (96-12-8) Raman
Product Name1,2-Dibromo-3-chloropropane
CAS96-12-8
Molecular FormulaC3H5Br2Cl
Molecular Weight236.33
InChIInChI=1S/C3H5Br2Cl/c4-1-3(5)2-6/h3H,1-2H2
InChIKey WBEJYOJJBDISQU-UHFFFAOYSA-N
SmilesC(Br)C(Br)CCl
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MassMS2015-05120CW 1,2-dibromo-3-chloropropane C3H5Br2Cl (Mass of molecular ion: 234)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
26.0 1.7 27.0 3.7 37.0 2.4 38.0 4.5 39.0 18.9 40.0 2.4 41.0 13.0 49.0 8.9 51.0 2.9 61.0 1.5 73.0 1.0 75.0 47.1 76.0 4.0 77.0 15.3 78.0 1.3 79.0 1.2 81.0 1.2 93.0 7.2 95.0 6.9 105.0 5.1 106.0 1.4 107.0 5.1 108.0 1.1 119.0 7.3 120.0 1.0 121.0 7.0 122.0 1.0 127.0 1.3 129.0 1.7 141.0 1.0 143.0 1.2 155.0 80.3 156.0 3.3 157.0 100.0 158.0 4.0 159.0 27.3 185.0 1.5 187.0 2.8 189.0 1.3 201.0 1.1
90 MHz in CDCl3
in CDCl3
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1H NMR 89.56 MHz C3 H5 Br2 Cl 0.04 ml : 0.5 ml CDCl3 1,2-dibromo-3-chloropropane 
Assign. Shift(ppm)
A 4.355 B *1 4.024 C *1 3.965 D *2 3.898 E *2 3.871 J(B,C)=-11.9HZ, J(A,B)=4.4HZ, J(A,C)=5.9HZ, J(D,E)=-10.9HZ, J(A,D)=4. 9HZ J(A,E)=7.1HZ
Hz ppm Int.402.94 4.500 41 398.50 4.450 53 397.88 4.443 47 397.06 4.434 62 395.94 4.421 63 393.56 4.395 51 392.63 4.384 82 391.88 4.376 63 391.50 4.372 86 390.63 4.362 49 390.00 4.355 110 387.75 4.330 76 386.63 4.317 73 385.56 4.306 115 385.00 4.299 109 380.69 4.251 118 373.19 4.167 53 368.75 4.118 40 361.31 4.035 597 359.63 4.016 561 356.88 3.985 383 354.88 3.963 54 353.69 3.950 396 348.94 3.897 1000 347.69 3.883 96 344.06 3.842 385 341.81 3.817 348 330.94 3.696 42
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in CDCl3
liquid film
4880 A,200 M,liquid
