Ethyl 2-bromohexanoate(615-96-3) IR1
Product NameEthyl 2-bromohexanoate
CAS615-96-3
Molecular FormulaC8H15BrO2
Molecular Weight223.11
InChIInChI=1S/C8H15BrO2/c1-3-5-6-7(9)8(10)11-4-2/h7H,3-6H2,1-2H3
InChIKey KOUAQOCYMAENKN-UHFFFAOYSA-N
SmilesC(OCC)(=O)C(Br)CCCC
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MassMS-NW-9987 ethyl 2-bromohexanoate C8H15BrO2 (Mass of molecular ion: 222)
Source Temperature: 230 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 1.1 26.0 1.9 27.0 26.4 28.0 4.7 29.0 70.6 30.0 1.7 31.0 1.2 39.0 12.2 40.0 2.5 41.0 69.5 42.0 15.2 43.0 31.5 44.0 1.3 45.0 6.2 53.0 2.8 54.0 1.0 55.0 26.9 56.0 2.4 57.0 9.0 59.0 1.1 60.0 1.1 67.0 3.1 68.0 2.0 69.0 100.0 70.0 8.8 71.0 4.4 73.0 26.1 74.0 1.1 80.0 1.1 82.0 1.1 85.0 1.6 87.0 4.1 88.0 1.2 97.0 8.0 98.0 1.1 99.0 3.4 101.0 10.6 106.0 1.1 107.0 4.3 108.0 1.2 109.0 4.0 115.0 35.0 116.0 2.8 120.0 1.9 121.0 1.4 122.0 1.9 138.0 18.3 140.0 18.0 143.0 35.6 144.0 3.2 149.0 2.4 151.0 2.8 166.0 51.8 167.0 3.2 168.0 50.3 169.0 2.3 177.0 3.3 179.0 3.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H15 Br O2 0.05 ml : 0.5 ml CDCl3 ethyl 2-bromohexanoate 
Assign. Shift(ppm)
A 4.231 B 4.202 C *1 2.073 D *1 1.984 E *2 1.45 F *2 1.36 G 1.301 J 0.919
Hz ppm Int.1702.88 4.261 110 1701.54 4.258 114 1695.68 4.243 294 1694.46 4.240 305 1688.60 4.226 306 1687.13 4.222 390 1681.40 4.208 130 1679.93 4.204 267 1679.20 4.202 256 1672.00 4.184 181 834.59 2.089 50 830.20 2.078 57 827.51 2.071 52 826.05 2.067 51 823.12 2.060 60 820.43 2.053 47 800.90 2.005 53 799.32 2.001 69 794.31 1.988 58 791.63 1.981 64 786.50 1.968 53 582.03 1.457 57 577.39 1.445 50 572.88 1.434 52 572.51 1.433 53 562.74 1.409 58 558.35 1.398 49 557.25 1.395 58 555.66 1.391 83 552.98 1.384 94 549.93 1.377 108 548.95 1.374 117 546.02 1.367 166 543.46 1.360 133 541.99 1.357 154 527.22 1.320 595 520.02 1.302 1000 512.94 1.284 570 374.27 0.937 285 372.44 0.932 125 367.31 0.920 514 362.67 0.908 95 359.99 0.901 251
in CDCl3
liquid film
4880 A,200 M,liquid
