Ethyl 4-bromobutyrate(2969-81-5) IR2
Product NameEthyl 4-bromobutyrate
CAS2969-81-5
Molecular FormulaC6H11BrO2
Molecular Weight195.05
InChIInChI=1S/C6H11BrO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3
InChIKey XBPOBCXHALHJFP-UHFFFAOYSA-N
SmilesC(OCC)(=O)CCCBr
-
MassMS-NW-1308 ethyl 4-bromobutyrate C6H11BrO2 (Mass of molecular ion: 194)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.8 26.0 2.9 27.0 17.5 28.0 4.5 29.0 42.0 30.0 1.0 31.0 2.0 38.0 1.0 39.0 10.1 40.0 2.3 41.0 42.3 42.0 13.4 43.0 13.0 44.0 1.0 45.0 17.2 55.0 3.1 56.0 1.0 60.0 25.2 61.0 9.9 69.0 2.6 70.0 6.1 73.0 5.8 85.0 1.1 86.0 1.0 87.0 12.8 88.0 100.0 89.0 4.9 93.0 1.4 95.0 1.4 101.0 1.1 115.0 5.1 121.0 9.0 123.0 8.6 149.0 23.9 150.0 1.8 151.0 24.2 152.0 1.0 166.0 3.9 168.0 3.8
90 MHz in CDCl3
-
1H NMR 89.56 MHz C6 H11 Br O2 0.04 ml : 0.5 ml CDCl3 ethyl 4-bromobutyrate 
Assign. Shift(ppm)
A 4.143 B 3.471 C 2.49 D 2.18 E 1.268
Hz ppm Int.382.00 4.266 120 374.88 4.186 392 367.75 4.107 412 360.63 4.027 137 317.25 3.543 241 310.88 3.472 544 304.81 3.404 266 232.19 2.593 77 230.19 2.571 84 225.63 2.520 83 223.25 2.493 278 217.81 2.433 207 216.69 2.420 239 207.56 2.318 81 206.06 2.301 74 201.25 2.248 163 200.56 2.240 150 197.81 2.209 42 194.88 2.176 185 194.25 2.169 180 192.06 2.145 86 188.19 2.102 109 185.94 2.077 66 120.44 1.345 506 113.38 1.266 1000 110.94 1.239 47 106.13 1.186 448
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
