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MS-IW-3822 octyl benzoate C15H22O2 (Mass of molecular ion: 234)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 2.1 29.0 3.4 39.0 2.0 41.0 8.5 42.0 4.2 43.0 6.6 50.0 1.3 51.0 6.0 54.0 1.2 55.0 9.4 56.0 11.5 57.0 4.1 67.0 1.1 68.0 2.4 69.0 9.1 70.0 15.0 71.0 2.3 76.0 1.6 77.0 32.1 78.0 2.7 79.0 5.1 82.0 2.5 83.0 10.2 84.0 10.1 97.0 1.3 105.0 82.0 106.0 6.9 112.0 13.3 113.0 1.2 122.0 13.1 123.0 100.0 124.0 8.0 234.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C15 H22 O2 0.05 ml : 0.5 ml CDCl3 octyl benzoate Assign. Shift(ppm)
A 8.050 B 7.525 C 7.419 D 4.309 E 1.754 F 1.44 G 1.36 to 1.30 J 1.28 K 0.882
Hz ppm Int.
3223.39 8.066 83 3221.68 8.062 441 3221.07 8.060 442 3220.34 8.058 567 3215.33 8.046 175 3213.26 8.041 620 3211.91 8.037 540 3017.58 7.551 71 3016.24 7.548 137 3014.89 7.544 84 3010.86 7.534 99 3008.79 7.529 321 3006.84 7.524 127 3002.81 7.514 149 3001.46 7.511 253 3000.00 7.507 145 2972.29 7.438 435 2970.83 7.434 204 2968.51 7.428 50 2965.58 7.421 364 2964.48 7.418 613 2958.74 7.404 129 2957.15 7.400 302 2956.42 7.398 237 1728.88 4.326 465 1722.17 4.310 921 1715.45 4.293 486 715.94 1.792 82 709.23 1.775 258 702.27 1.758 316 694.34 1.738 298 687.62 1.721 127 587.04 1.469 45 580.81 1.454 130 578.74 1.449 123 573.36 1.435 206 565.55 1.416 180 558.59 1.398 98 552.61 1.383 62 545.29 1.365 134 543.33 1.360 141 539.06 1.349 188 533.94 1.337 253 530.52 1.328 306 528.56 1.323 316 522.34 1.307 409 517.46 1.295 444 511.47 1.280 613 359.99 0.901 328 353.27 0.884 1000 346.07 0.866 411
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