ethyl 2-ethylhexanoate(2983-37-1) MS
Product Nameethyl 2-ethylhexanoate
CAS2983-37-1
Molecular FormulaC10H20O2
Molecular Weight172.26
InChIInChI=1S/C10H20O2/c1-4-7-8-9(5-2)10(11)12-6-3/h9H,4-8H2,1-3H3
InChIKey YXAGIRHBJJLWHW-UHFFFAOYSA-N
SmilesC(OCC)(=O)C(CC)CCCC
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MassMS2014-05072CW ethyl 2-ethylhexanoate C10H20O2 (Mass of molecular ion: 172)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
27.0 11.4 28.0 11.5 29.0 22.7 32.0 2.8 39.0 7.1 40.0 1.5 41.0 24.1 42.0 5.0 43.0 17.1 45.0 3.8 53.0 2.4 54.0 1.0 55.0 15.4 56.0 6.2 57.0 65.6 58.0 2.9 59.0 1.6 67.0 1.1 69.0 5.4 70.0 5.9 71.0 2.7 73.0 28.5 74.0 1.5 83.0 2.0 87.0 8.4 88.0 18.4 89.0 2.7 97.0 1.9 98.0 2.2 99.0 13.0 100.0 1.0 101.0 78.1 102.0 5.4 115.0 22.1 116.0 100.0 117.0 6.7 127.0 19.2 128.0 1.7 129.0 13.4 130.0 1.4 143.0 7.7 144.0 17.8 145.0 2.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H20 O2 0.05 ml : 0.5 ml CDCl3 ethyl 2-ethylhexanoate 
Assign. Shift(ppm)
A 4.143 B 2.245 C *1 1.63 D *2 1.59 E *1 1.51 F *2 1.45 G 1.31 to 1.25 J 1.259 K 0.891 L 0.885
Hz ppm Int.1666.75 4.171 202 1659.67 4.153 549 1652.47 4.135 554 1645.39 4.118 216 912.11 2.283 31 906.74 2.269 65 903.20 2.260 67 901.37 2.256 44 897.83 2.247 127 894.41 2.238 46 892.46 2.234 73 889.04 2.225 73 883.67 2.212 38 661.87 1.657 53 655.76 1.641 41 654.42 1.638 77 653.20 1.635 72 648.32 1.623 100 647.34 1.620 86 645.87 1.617 88 643.80 1.611 42 640.87 1.604 113 639.65 1.601 134 637.21 1.595 49 632.32 1.583 109 630.98 1.579 65 624.76 1.564 40 623.78 1.561 39 622.31 1.558 31 614.87 1.539 71 609.38 1.525 78 607.42 1.520 79 601.93 1.507 91 599.98 1.502 40 595.70 1.491 78 593.87 1.486 59 590.21 1.477 46 588.26 1.472 81 582.28 1.457 82 580.08 1.452 57 576.66 1.443 34 574.58 1.438 58 573.12 1.435 43 567.63 1.421 38 566.65 1.418 39 536.99 1.344 38 531.86 1.331 60 530.40 1.328 57 528.44 1.323 63 525.51 1.315 101 525.02 1.314 97 524.41 1.313 94 520.87 1.304 77 518.80 1.299 126 516.97 1.294 88 516.60 1.293 88 514.40 1.288 112 511.96 1.282 212 510.25 1.277 627 505.13 1.264 184 503.17 1.260 1000 500.12 1.252 141 499.02 1.249 145 497.92 1.246 137 495.97 1.242 591 493.53 1.235 85 491.46 1.230 100 489.14 1.224 59 484.86 1.214 30 363.77 0.911 463 360.96 0.904 319 356.32 0.892 831 354.00 0.886 624 348.75 0.873 424 346.80 0.868 363
in CDCl3
liquid film
