Ethyl 5-bromovalerate(14660-52-7) IR1
Product NameEthyl 5-bromovalerate
CAS14660-52-7
Molecular FormulaC7H13BrO2
Molecular Weight209.08
InChIInChI=1S/C7H13BrO2/c1-2-10-7(9)5-3-4-6-8/h2-6H2,1H3
InChIKey AFRWBGJRWRHQOV-UHFFFAOYSA-N
SmilesC(OCC)(=O)CCCCBr
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MassMS-NW-7522 ethyl 5-bromovalerate C7H13BrO2 (Mass of molecular ion: 208)
Source Temperature: 250 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 2.3 26.0 3.5 27.0 28.9 28.0 12.4 29.0 59.3 30.0 1.7 31.0 3.5 39.0 9.8 40.0 1.5 41.0 17.0 42.0 4.6 43.0 13.1 44.0 1.0 45.0 12.7 53.0 3.2 54.0 2.7 55.0 80.1 56.0 8.2 57.0 4.5 58.0 1.0 59.0 10.5 60.0 1.6 69.0 1.4 73.0 18.4 74.0 2.7 83.0 23.1 84.0 1.4 87.0 2.9 93.0 1.1 99.0 1.0 100.0 1.0 101.0 100.0 102.0 6.9 107.0 2.7 108.0 1.2 109.0 2.5 115.0 2.2 129.0 22.1 130.0 2.0 135.0 15.5 137.0 14.6 163.0 17.0 164.0 1.6 165.0 16.3 180.0 1.7 182.0 1.7
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C7 H13 Br O2 0.05 ml : 0.5 ml CDCl3 ethyl 5-bromovalerate 
Assign. Shift(ppm)
A 4.136 B 3.422 C 2.342 D 1.91 E 1.79 F 1.261
Hz ppm Int.1663.57 4.163 180 1656.49 4.145 471 1649.29 4.127 474 1642.09 4.109 172 1377.20 3.447 37 1374.39 3.439 341 1370.73 3.430 61 1367.92 3.423 602 1364.01 3.414 34 1361.21 3.407 329 943.48 2.361 264 939.58 2.352 36 936.16 2.343 466 928.83 2.325 290 776.61 1.944 49 775.63 1.941 45 770.14 1.928 116 769.41 1.926 101 768.92 1.924 107 766.11 1.917 53 763.06 1.910 142 761.72 1.906 125 760.62 1.904 91 759.40 1.901 82 756.71 1.894 74 754.76 1.889 163 754.15 1.888 151 752.93 1.884 50 748.17 1.873 81 727.42 1.821 66 726.56 1.818 88 722.29 1.808 57 719.60 1.801 177 718.38 1.798 95 714.97 1.789 85 712.52 1.783 176 711.30 1.780 148 707.52 1.771 50 705.20 1.765 99 703.98 1.762 95 698.12 1.747 34 696.78 1.744 35 516.85 1.294 32 511.23 1.280 587 504.15 1.262 1000 501.34 1.255 50 496.95 1.244 566 494.26 1.237 57
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1H NMR 89.56 MHz C7 H13 Br O2 0.05 ml : 0.5 ml CDCl3 ethyl 5-bromovalerate Assign. Shift(ppm)
A 4.13 B 3.41 C 2.33 D 1.89 E 1.78 F 1.253
Hz ppm Int.380.88 4.253 121 373.75 4.174 390 370.81 4.141 32 370.38 4.136 32 366.63 4.094 412 359.50 4.015 146 312.63 3.491 116 311.00 3.473 69 308.13 3.441 106 306.25 3.420 423 301.56 3.368 89 299.94 3.350 193 216.31 2.416 106 213.88 2.389 48 212.69 2.375 50 209.56 2.340 272 203.25 2.270 140 179.25 2.002 37 177.44 1.982 53 175.00 1.954 62 174.25 1.946 48 172.31 1.924 107 170.63 1.906 134 168.31 1.880 263 165.25 1.846 238 164.13 1.833 218 163.13 1.822 203 161.69 1.806 228 159.81 1.785 127 157.31 1.757 125 153.88 1.719 60 153.31 1.712 64 151.31 1.690 58 150.19 1.677 42 149.69 1.672 43 149.06 1.665 44 147.94 1.652 34 146.88 1.641 30 119.75 1.338 485 116.44 1.301 45 112.69 1.259 1000 107.69 1.203 53 105.50 1.178 442 102.56 1.146 40
in CDCl3
liquid film
