1-Bromoheptane(629-04-9) IR1
Product Name1-Bromoheptane
CAS629-04-9
Molecular FormulaC7H15Br
Molecular Weight179.1
InChIInChI=1S/C7H15Br/c1-2-3-4-5-6-7-8/h2-7H2,1H3
InChIKey LSXKDWGTSHCFPP-UHFFFAOYSA-N
SmilesC(Br)CCCCCC
-
MassMS2015-05121CW 1-bromoheptane C7H15Br (Mass of molecular ion: 178)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
14.0 1.1 18.0 1.5 26.0 1.7 27.0 10.2 29.0 14.8 38.0 1.3 39.0 9.2 40.0 5.0 41.0 43.9 42.0 13.9 43.0 37.5 44.0 2.6 50.0 1.1 51.0 2.2 52.0 1.0 53.0 7.2 54.0 5.6 55.0 43.5 56.0 34.0 57.0 92.9 58.0 8.2 65.0 1.1 67.0 4.0 68.0 3.0 69.0 29.0 70.0 13.4 71.0 5.1 81.0 1.4 83.0 3.9 84.0 1.1 85.0 3.9 93.0 1.4 95.0 1.4 97.0 1.6 98.0 16.8 99.0 2.4 107.0 6.1 109.0 5.8 121.0 1.1 135.0 64.2 136.0 4.6 137.0 100.0 138.0 4.3 149.0 6.4 151.0 6.3 178.0 2.2 180.0 2.3
in CDCl3
90 MHz in CDCl3
-
-
1H NMR 89.56 MHz C7 H15 Br 0.04 ml : 0.5 ml CDCl3 1-bromoheptane 
Assign. Shift(ppm)
A 0.89 B 1.14 to 1.61 C 1.847 D 3.399
Hz ppm Int.311.63 3.480 384 309.88 3.461 41 304.81 3.404 1000 297.94 3.327 542 296.31 3.309 39 173.19 1.934 101 166.50 1.860 158 159.56 1.782 138 118.06 1.319 855 84.88 0.948 191 79.50 0.888 724 73.38 0.820 143
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
