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MassMS-NW-1566 4-octanolide C8H14O2 (Mass of molecular ion: 142)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
27.0 7.5 28.0 5.4 29.0 20.1 39.0 3.8 41.0 8.3 42.0 4.3 43.0 1.7 44.0 1.6 54.0 1.0 55.0 5.2 56.0 6.7 57.0 6.3 58.0 1.1 69.0 2.9 70.0 3.1 72.0 1.9 82.0 1.1 84.0 1.1 85.0 100.0 86.0 4.6 87.0 1.6 96.0 1.1 99.0 1.1 100.0 5.4 114.0 1.5 124.0 1.6
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C8 H14 O2 0.05 ml : 0.5 ml CDCl3 4-octanolide 
Assign. Shift(ppm)
A 4.497 B *1 2.536 C *1 2.520 D *2 2.343 E *2 1.865 F *3 1.735 G *4 1.611 J *4 1.44 K *3 1.41 to 1.33 L 0.918 J(B,C)=9.6HZ ASSIGNED BY C-H COSY.
Hz ppm Int.1811.28 4.533 80 1805.66 4.519 108 1804.57 4.516 123 1803.59 4.513 144 1799.07 4.502 128 1797.49 4.498 197 1795.90 4.494 123 1791.26 4.483 153 1790.16 4.480 124 1789.31 4.478 109 1783.69 4.464 86 1019.53 2.552 372 1017.94 2.548 340 1011.84 2.532 773 1009.89 2.527 430 1008.54 2.524 392 1002.32 2.508 670 953.00 2.385 119 946.90 2.370 145 946.41 2.369 151 945.31 2.366 110 940.31 2.353 241 939.21 2.351 139 938.84 2.350 137 934.20 2.338 176 933.72 2.337 182 932.62 2.334 192 927.61 2.322 138 926.15 2.318 148 920.04 2.303 95 764.53 1.913 115 756.47 1.893 128 755.13 1.890 181 751.83 1.882 104 747.07 1.870 176 745.48 1.866 121 743.77 1.862 120 742.31 1.858 167 737.43 1.846 100 734.25 1.838 160 732.79 1.834 99 724.73 1.814 84 704.35 1.763 75 700.44 1.753 80 699.10 1.750 85 696.78 1.744 80 695.43 1.741 99 692.87 1.734 84 691.28 1.730 100 690.67 1.729 104 687.99 1.722 95 686.77 1.719 79 685.30 1.715 100 683.11 1.710 84 677.86 1.697 78 656.01 1.642 116 650.51 1.628 112 646.12 1.617 134 643.92 1.612 67 642.33 1.608 101 640.50 1.603 100 638.31 1.598 76 636.84 1.594 68 632.57 1.583 108 626.95 1.569 74 587.28 1.470 88 584.72 1.464 74 582.28 1.457 69 581.05 1.454 70 579.47 1.450 133 577.39 1.445 76 574.71 1.439 94 573.49 1.435 85 572.39 1.433 80 571.41 1.430 71 569.58 1.426 104 568.85 1.424 90 568.12 1.422 105 566.65 1.418 62 562.50 1.408 174 558.72 1.399 160 556.40 1.393 235 554.93 1.389 215 550.78 1.379 262 549.56 1.376 332 547.85 1.371 276 545.41 1.365 345 542.97 1.359 261 540.53 1.353 280 538.09 1.347 158 536.25 1.342 166 533.57 1.336 131 531.62 1.331 79 528.69 1.323 53 373.90 0.936 553 371.22 0.929 193 367.07 0.919 1000 359.62 0.900 485
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1H NMR 89.56 MHz C8 H14 O2 0.04 ml : 0.5 ml CDCl3 4-octanolide Assign. Shift(ppm)
A 4.50 B 2.54 C 2.33 D 1.86 E *1 1.75 F *1 1.61 G 1.44 J 1.37 K 0.92 THE SHIFT VALUES WERE OBTAINED AT 400MHZ. 400MHZ : HSP-43-009
Hz ppm Int.403.38 4.505 165 402.25 4.492 136 397.06 4.434 131 236.69 2.643 239 234.44 2.618 270 229.56 2.564 430 228.63 2.553 551 227.38 2.539 200 225.06 2.513 212 223.50 2.496 213 220.81 2.466 974 219.25 2.449 535 217.38 2.428 300 211.44 2.361 226 205.81 2.299 217 205.38 2.294 234 204.31 2.282 166 199.50 2.228 170 198.63 2.218 155 198.25 2.214 152 175.88 1.964 253 173.00 1.932 137 172.00 1.921 147 167.69 1.873 183 165.69 1.851 220 164.06 1.832 194 162.44 1.814 151 158.75 1.773 129 157.44 1.758 179 156.63 1.749 160 154.63 1.727 247 153.75 1.717 195 152.88 1.708 187 151.31 1.690 215 151.00 1.687 213 148.69 1.661 187 147.81 1.651 194 146.38 1.635 241 145.19 1.622 288 142.69 1.594 176 142.06 1.587 177 140.19 1.566 214 139.50 1.558 231 138.31 1.545 170 136.94 1.530 130 127.13 1.420 512 122.38 1.367 441 88.69 0.991 330 84.25 0.941 319 82.25 0.919 1000 76.31 0.853 234
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
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