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MS-IW-0874 2,4-diethyl-1-heptanol C11H24O (Mass of molecular ion: 172)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 4.9 29.0 9.1 31.0 3.8 39.0 3.1 41.0 24.8 42.0 7.1 43.0 70.4 44.0 2.6 45.0 1.8 53.0 1.6 54.0 1.1 55.0 53.5 56.0 17.1 57.0 77.7 58.0 3.7 59.0 6.1 67.0 2.5 68.0 2.1 69.0 100.0 70.0 54.2 71.0 36.4 72.0 4.0 73.0 3.8 81.0 2.7 82.0 1.5 83.0 37.4 84.0 25.1 85.0 37.7 86.0 3.3 87.0 1.4 95.0 2.2 97.0 6.1 98.0 62.6 99.0 17.5 100.0 1.2 109.0 1.1 110.0 2.8 111.0 26.6 112.0 6.5 123.0 1.5 124.0 2.5 125.0 22.7 126.0 3.3 129.0 3.4 139.0 2.0 140.0 1.0 141.0 1.6 143.0 2.5 154.0 2.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C11 H24 O 0.05 ml : 0.5 ml CDCl3 2,4-diethyl-1-heptanol Assign. Shift(ppm)
A *1 3.531 B *1 3.494 C 2.01 D 1.47 E 1.39 F 1.29 G *2 1.23 J *2 1.15 K *3 0.894 L *3 0.885 N 0.841
Hz ppm Int.
1422.85 3.561 60 1420.65 3.555 59 1417.97 3.549 64 1415.65 3.543 61 1412.23 3.534 172 1410.03 3.529 198 1407.35 3.522 171 1405.03 3.516 198 1402.95 3.511 195 1401.00 3.506 163 1397.09 3.496 183 1395.26 3.492 156 1392.33 3.484 64 1390.38 3.479 65 1386.47 3.470 58 1384.52 3.465 66 803.71 2.012 122 601.68 1.506 40 595.70 1.491 91 589.72 1.476 127 583.86 1.461 121 578.13 1.447 104 573.85 1.436 57 572.14 1.432 63 571.04 1.429 62 567.75 1.421 58 566.53 1.418 64 564.82 1.414 99 560.42 1.403 109 558.59 1.398 78 557.37 1.395 93 554.08 1.387 82 552.98 1.384 105 551.27 1.380 84 546.63 1.368 94 544.43 1.363 101 542.36 1.358 52 540.65 1.353 98 538.70 1.348 108 537.11 1.344 119 534.91 1.339 140 533.45 1.335 143 531.13 1.329 172 529.66 1.326 185 527.59 1.321 246 523.56 1.311 338 521.73 1.306 305 519.78 1.301 300 517.94 1.296 319 516.48 1.293 361 511.35 1.280 333 508.30 1.272 255 505.00 1.264 227 501.95 1.256 167 500.61 1.253 134 497.92 1.246 128 493.65 1.236 210 487.79 1.221 233 484.62 1.213 99 481.69 1.206 156 477.66 1.196 85 474.85 1.189 143 472.29 1.182 63 468.14 1.172 190 467.16 1.169 213 460.69 1.153 292 454.59 1.138 181 448.12 1.122 77 441.04 1.104 46 364.99 0.914 549 360.23 0.902 398 357.67 0.895 1000 356.93 0.894 990 354.37 0.887 667 353.27 0.884 646 349.73 0.876 479 347.05 0.869 386 346.07 0.866 385 343.26 0.859 496 336.43 0.842 709 335.82 0.841 695 328.86 0.823 333
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