Product Name2-ETHOXYETHYL2-ETHYLHEXANOATE
Molecular FormulaC12H24O3
Molecular Weight216.31716
InChIInChI=1S/C12H24O3/c1-4-7-8-11(5-2)12(13)15-10-9-14-6-3/h11H,4-10H2,1-3H3
InChIKey UFCOTERUPQVETE-UHFFFAOYSA-N
SmilesC(OCCOCC)(=O)C(CC)CCCC
-
MassMS-IW-3515 2-ethoxyethyl 2-ethylhexanoate C12H24O3 (Mass of molecular ion: 216)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 8.6 28.0 3.1 29.0 16.4 31.0 8.1 39.0 3.8 41.0 18.4 42.0 3.6 43.0 25.3 44.0 20.1 45.0 25.5 53.0 1.3 55.0 16.3 56.0 5.1 57.0 90.1 58.0 5.0 59.0 13.1 69.0 4.8 70.0 11.0 71.0 1.9 72.0 100.0 73.0 17.8 74.0 1.0 83.0 2.2 87.0 1.4 88.0 4.8 89.0 7.3 91.0 4.8 97.0 2.1 98.0 5.3 99.0 31.2 100.0 2.4 101.0 1.9 114.0 5.4 115.0 2.2 116.0 7.2 127.0 27.7 128.0 2.5 129.0 2.8 144.0 1.3 145.0 3.2 160.0 5.8 171.0 3.8 172.0 2.6
400 MHz in CDCl3
-
1H NMR 399.65 MHz C12 H24 O3 0.05 ml : 0.5 ml CDCl3 2-ethoxyethyl 2-ethylhexanoate 
Assign. Shift(ppm)
A 4.249 B 3.629 C 3.528 D 2.311 E *1 1.64 F *2 1.60 G *1 1.53 J *2 1.46 K 1.30 L 1.26 M 1.205 N 0.899 P 0.885
Hz ppm Int.1703.00 4.262 332 1699.95 4.254 134 1699.22 4.252 200 1698.12 4.250 329 1696.90 4.246 186 1696.17 4.245 129 1693.24 4.237 351 1455.20 3.642 365 1452.27 3.634 133 1451.42 3.632 192 1450.20 3.629 337 1449.22 3.627 199 1448.49 3.625 131 1445.43 3.617 329 1420.53 3.555 199 1413.45 3.537 581 1406.49 3.520 573 1399.41 3.502 211 938.11 2.348 30 932.74 2.334 63 929.32 2.326 64 927.37 2.321 44 923.95 2.312 122 920.53 2.304 44 918.58 2.299 70 915.16 2.290 70 909.79 2.277 36 668.09 1.672 44 666.63 1.669 33 661.99 1.657 36 660.64 1.654 59 659.42 1.650 71 657.59 1.646 43 654.54 1.638 87 653.20 1.635 77 652.10 1.632 79 650.15 1.627 51 647.09 1.620 98 645.87 1.617 109 644.78 1.614 85 638.43 1.598 101 635.99 1.592 54 630.98 1.579 35 629.15 1.575 33 620.36 1.553 69 614.87 1.539 75 612.92 1.534 76 607.42 1.520 89 605.59 1.516 38 601.20 1.505 72 599.37 1.500 58 595.70 1.491 41 593.63 1.486 85 587.89 1.472 78 586.55 1.468 51 585.57 1.466 52 582.03 1.457 32 580.08 1.452 55 573.49 1.435 33 572.27 1.432 36 536.99 1.344 35 531.25 1.330 58 528.32 1.322 54 525.39 1.315 87 521.00 1.304 93 518.68 1.298 126 516.36 1.293 107 514.77 1.289 170 512.21 1.282 163 510.62 1.278 132 508.79 1.274 151 507.32 1.270 145 503.17 1.260 115 501.34 1.255 103 498.78 1.249 60 496.70 1.243 61 494.87 1.239 69 492.68 1.233 47 488.77 1.223 602 485.84 1.216 40 481.81 1.206 1000 474.73 1.188 575 366.58 0.918 434 360.47 0.902 379 359.13 0.899 842 356.57 0.893 161 353.52 0.885 580 351.68 0.880 460 346.31 0.867 304
in CDCl3
liquid film
