3-Bromopentane(1809-10-5) IR1
Product Name3-Bromopentane
CAS1809-10-5
Molecular FormulaC5H11Br
Molecular Weight151.04
InChIInChI=1S/C5H11Br/c1-3-5(6)4-2/h5H,3-4H2,1-2H3
InChIKey VTOQFOCYBTVOJZ-UHFFFAOYSA-N
SmilesCCC(Br)CC
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MassMS-IW-0053 3-bromopentane C5H11Br (Mass of molecular ion: 150)
Source Temperature: 260 °C Sample Temperature: 160 °C Reservoir, 75 eV
26.0 1.0 27.0 9.7 28.0 1.4 29.0 14.3 39.0 9.5 40.0 1.3 41.0 23.2 42.0 7.1 43.0 85.7 44.0 3.1 53.0 1.8 55.0 14.5 56.0 1.0 69.0 1.1 70.0 2.0 71.0 100.0 72.0 5.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H11 Br 0.05 ml : 0.5 ml CDCl3 3-bromopentane 
Assign. Shift(ppm)
A 3.938 B 1.84 C 1.04
Hz ppm Int.359.44 4.014 55 358.63 4.005 59 352.75 3.939 105 346.88 3.874 63 346.00 3.864 65 180.50 2.016 59 179.63 2.006 59 174.69 1.951 83 172.56 1.927 263 166.38 1.858 255 165.38 1.847 361 160.50 1.793 116 159.06 1.777 283 155.88 1.741 60 154.63 1.727 36 152.13 1.699 161 149.19 1.666 37 99.81 1.115 544 92.94 1.038 1000 85.44 0.954 341 84.63 0.945 207
in CDCl3
liquid film
