2-OCTYNOIC ACID ISOAMYL ESTER
Product Name 2-OCTYNOIC ACID ISOAMYL ESTER
CAS68555-60-2
MFC13H22O2
MW210.31
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MassMS-IW-7344 isopentyl 2-octynoate C13H22O2 (Mass of molecular ion: 210)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 4.8 28.0 1.6 29.0 10.7 39.0 5.3 41.0 14.6 42.0 9.8 43.0 25.7 44.0 1.3 45.0 1.0 53.0 4.3 54.0 1.4 55.0 37.0 56.0 4.4 57.0 3.0 65.0 1.1 66.0 4.9 67.0 11.6 68.0 4.2 69.0 8.4 70.0 100.0 71.0 16.4 77.0 1.3 79.0 3.9 80.0 2.3 81.0 5.7 82.0 1.6 83.0 1.0 84.0 1.7 85.0 1.0 86.0 1.0 93.0 3.6 94.0 1.7 95.0 9.4 96.0 1.1 97.0 1.7 98.0 1.8 99.0 1.4 109.0 2.3 111.0 3.1 112.0 1.6 123.0 41.4 124.0 3.9 125.0 3.1 139.0 1.8 140.0 2.3 141.0 27.7 142.0 2.6 155.0 1.2 167.0 3.1 195.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C13 H22 O2 0.05 ml : 0.5 ml CDCl3 isopentyl 2-octynoate 
Assign. Shift(ppm)
A 4.185 B 2.324 C 1.713 D 1.59 E 1.56 F 1.38 G 1.32 J 0.929 K 0.909
Hz ppm Int.1679.57 4.203 167 1672.61 4.186 322 1665.65 4.168 173 936.40 2.344 157 929.20 2.326 317 922.00 2.308 170 692.50 1.733 45 685.55 1.716 55 678.71 1.699 50 672.12 1.682 31 642.33 1.608 64 640.63 1.603 44 634.64 1.588 171 631.47 1.581 37 627.81 1.571 301 620.85 1.554 212 613.89 1.537 66 563.23 1.410 46 559.94 1.402 51 556.03 1.392 56 554.20 1.387 60 551.64 1.381 56 550.05 1.377 46 547.61 1.371 73 547.00 1.369 74 545.65 1.366 50 544.56 1.363 70 541.38 1.355 82 540.28 1.352 84 536.87 1.344 36 534.91 1.339 70 534.42 1.338 71 533.45 1.335 69 530.03 1.327 31 529.42 1.325 35 527.47 1.320 55 526.86 1.319 55 379.15 0.949 57 377.44 0.945 141 374.63 0.938 1000 372.56 0.933 97 370.85 0.928 159 369.14 0.924 308 367.92 0.921 973 363.89 0.911 71 362.18 0.907 398 357.30 0.895 47 354.98 0.889 153
in CDCl3
liquid film
