Ethyl 6-bromohexanoate(25542-62-5) 1H NMR
Product NameEthyl 6-bromohexanoate
CAS25542-62-5
Molecular FormulaC8H15BrO2
Molecular Weight223.11
InChIInChI=1S/C8H15BrO2/c1-2-11-8(10)6-4-3-5-7-9/h2-7H2,1H3
InChIKey DXBULVYHTICWKT-UHFFFAOYSA-N
SmilesC(OCC)(=O)CCCCCBr
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MassMS-IW-5471 ethyl 6-bromohexanoate C8H15BrO2 (Mass of molecular ion: 222)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 1.1 26.0 1.6 27.0 10.5 28.0 4.2 29.0 18.2 31.0 1.5 39.0 6.3 40.0 1.8 41.0 21.6 42.0 8.7 43.0 7.9 45.0 9.1 48.0 1.4 53.0 2.5 54.0 2.1 55.0 12.7 56.0 1.0 60.0 21.9 61.0 13.1 67.0 3.3 68.0 4.6 69.0 48.2 70.0 14.9 71.0 3.4 73.0 12.5 79.0 1.3 80.0 3.9 81.0 1.3 82.0 3.9 87.0 2.2 88.0 100.0 89.0 5.2 96.0 3.4 97.0 13.3 98.0 1.0 101.0 12.4 107.0 2.1 109.0 2.0 115.0 16.3 116.0 1.1 143.0 11.1 144.0 1.0 149.0 1.8 151.0 1.7 177.0 16.3 178.0 1.3 179.0 16.2 180.0 1.1
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 6-bromohexanoate 
Assign. Shift(ppm)
A 4.127 B 3.412 C 2.316 D 1.880 E 1.656 F 1.485 G 1.257
Hz ppm Int.1660.28 4.155 193 1653.20 4.137 524 1646.00 4.119 527 1638.92 4.101 202 1370.61 3.430 340 1363.89 3.413 625 1357.06 3.396 353 933.23 2.336 296 925.90 2.317 485 918.33 2.298 323 765.87 1.917 78 759.03 1.900 193 756.59 1.894 59 753.66 1.886 75 751.71 1.881 205 750.98 1.880 196 746.83 1.869 46 744.02 1.862 220 737.30 1.845 93 677.86 1.697 58 670.53 1.678 167 668.09 1.672 55 662.60 1.658 202 654.66 1.639 174 647.58 1.621 87 607.67 1.521 64 606.81 1.519 74 601.68 1.506 89 599.37 1.500 152 595.46 1.490 83 592.04 1.482 207 589.60 1.476 99 586.79 1.469 69 584.35 1.463 85 583.37 1.460 101 577.15 1.445 35 576.17 1.442 41 509.52 1.275 604 502.32 1.257 1000 495.12 1.239 600
in CDCl3
liquid film
