1,2-DICHLOROBUTANE(616-21-7) 13C NMR
Product Name1,2-DICHLOROBUTANE
CAS616-21-7
Molecular FormulaC4H8Cl2
Molecular Weight127.01
InChIInChI=1S/C4H8Cl2/c1-2-4(6)3-5/h4H,2-3H2,1H3
InChIKey PQBOTZNYFQWRHU-UHFFFAOYSA-N
SmilesC(Cl)C(Cl)CC
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MassMS-NW-4357 1,2-dichlorobutane C4H8Cl2 (Mass of molecular ion: 126)
Source Temperature: 230 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.7 26.0 6.9 27.0 32.4 28.0 5.2 29.0 27.5 35.0 1.2 36.0 2.5 37.0 2.3 38.0 3.9 39.0 27.2 40.0 2.8 41.0 91.0 42.0 4.5 49.0 13.3 50.0 4.5 51.0 4.9 52.0 1.4 53.0 11.1 54.0 19.0 55.0 100.0 56.0 5.9 60.0 1.0 61.0 9.3 62.0 32.4 63.0 10.0 64.0 10.4 65.0 2.3 73.0 1.2 75.0 10.9 76.0 41.5 77.0 97.3 78.0 16.3 79.0 30.5 80.0 1.0 89.0 3.6 90.0 38.6 91.0 7.4 92.0 12.5 93.0 2.1 96.0 1.3 97.0 3.6 98.0 1.0 99.0 2.3 111.0 1.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C4 H8 Cl2 0.02 ml : 0.5 ml CDCl3 1,2-dichlorobutane 
Assign. Shift(ppm)
A 3.98 B *1 3.76 C *1 3.67 D *2 2.05 E *2 1.75 F 1.07 J(B,C)=-11.2HZ J(A,B)=5.0HZ J(A,C)=7.8HZ
Hz ppm Int.363.13 4.055 77 359.13 4.010 84 358.19 4.000 124 355.31 3.968 67 354.25 3.956 117 351.31 3.923 62 350.44 3.913 91 347.13 3.876 129 342.19 3.821 55 336.06 3.753 646 333.56 3.725 689 331.06 3.697 314 325.88 3.639 399 322.50 3.601 92 314.75 3.515 71 184.38 2.059 104 180.38 2.015 110 177.94 1.987 76 176.88 1.975 115 172.88 1.931 107 170.50 1.904 118 169.88 1.897 74 165.94 1.853 58 163.44 1.825 139 162.75 1.818 94 156.75 1.751 97 155.69 1.739 109 149.06 1.665 100 102.06 1.140 464 94.81 1.059 1000 87.63 0.979 293 86.75 0.969 171
in CDCl3
liquid film
4880 A,200 M,liquid
