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MS-IW-3566 methyl 2-ethylhexanoate C9H18O2 (Mass of molecular ion: 158)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 4.4 27.0 10.3 28.0 2.3 29.0 13.8 39.0 8.2 40.0 1.4 41.0 26.9 42.0 5.1 43.0 21.2 45.0 2.6 53.0 2.4 54.0 1.0 55.0 22.2 56.0 6.5 57.0 60.8 58.0 2.8 59.0 13.1 67.0 1.0 69.0 9.6 70.0 5.6 71.0 1.5 73.0 3.4 74.0 3.2 83.0 3.6 87.0 97.3 88.0 6.5 97.0 2.2 98.0 2.1 99.0 7.1 101.0 20.2 102.0 100.0 103.0 6.2 115.0 17.3 116.0 1.5 127.0 9.5 129.0 11.8 130.0 18.3 131.0 1.3 143.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H18 O2 0.05 ml : 0.5 ml CDCl3 methyl 2-ethylhexanoate Assign. Shift(ppm)
A 3.674 B 2.275 C *1 1.63 D *2 1.58 E *1 1.52 F *2 1.45 G 1.30 J 1.24 K 0.885
Hz ppm Int.
1468.63 3.675 1000 918.70 2.299 48 915.28 2.291 51 913.33 2.286 35 909.91 2.277 96 906.49 2.269 37 904.54 2.264 56 901.12 2.255 55 661.99 1.657 35 661.01 1.654 33 654.54 1.638 54 653.44 1.636 52 652.34 1.633 44 648.32 1.623 72 647.46 1.621 70 645.87 1.617 68 643.55 1.611 34 640.87 1.604 85 639.89 1.602 105 632.32 1.583 88 631.10 1.580 57 625.12 1.565 44 623.66 1.561 31 617.92 1.547 55 612.43 1.533 58 610.47 1.528 60 604.86 1.514 70 603.03 1.509 33 598.75 1.499 59 597.05 1.494 46 593.38 1.485 36 591.31 1.480 63 585.08 1.464 60 583.13 1.460 45 577.76 1.446 45 570.07 1.427 30 530.88 1.329 40 528.44 1.323 44 526.86 1.319 47 524.29 1.312 75 519.41 1.300 66 517.58 1.296 104 511.96 1.282 79 511.11 1.279 80 508.67 1.273 85 506.84 1.269 77 504.64 1.263 74 502.69 1.258 98 501.34 1.255 100 494.63 1.238 93 489.99 1.227 45 487.67 1.221 62 484.74 1.213 44 361.08 0.904 468 353.76 0.886 804 346.31 0.867 463
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