2-Chlorobutane(78-86-4) 1H NMR
Product Name2-Chlorobutane
CAS78-86-4
Molecular FormulaC4H9Cl
Molecular Weight92.57
InChIInChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3
InChIKey BSPCSKHALVHRSR-UHFFFAOYSA-N
SmilesCC(Cl)CC
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MassMS-NW-0940 2-chlorobutane C4H9Cl (Mass of molecular ion: 92)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.4 18.0 1.3 26.0 5.4 27.0 37.1 28.0 12.6 29.0 39.3 30.0 1.0 36.0 2.4 37.0 1.4 38.0 2.3 39.0 17.3 40.0 2.6 41.0 64.1 42.0 3.6 43.0 1.7 49.0 2.8 50.0 2.5 51.0 2.2 53.0 2.4 55.0 9.3 56.0 92.6 57.0 100.0 58.0 4.5 61.0 1.1 62.0 13.2 63.0 44.1 64.0 5.1 65.0 13.9 76.0 1.0 77.0 5.5 79.0 1.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C4 H9 Cl 0.04 ml : 0.5 ml CDCl3 2-chlorobutane 
Assign. Shift(ppm)
A 3.972 B 1.71 C 1.502 D 1.024
Hz ppm Int.365.88 4.086 55 359.44 4.014 96 353.31 3.945 106 346.75 3.872 64 171.44 1.915 35 170.25 1.901 33 165.44 1.848 43 164.69 1.839 52 163.38 1.825 136 158.88 1.775 47 157.38 1.758 149 156.06 1.743 196 151.44 1.691 56 149.63 1.671 182 148.63 1.660 73 145.38 1.624 40 142.81 1.595 92 137.69 1.538 1000 135.50 1.513 49 131.19 1.465 938 129.13 1.442 45 98.06 1.095 289 91.13 1.018 510 83.56 0.934 182 82.63 0.923 106
in CDCl3
CCl4 solution
liquid film
