Product NameBis(2-ethylhexyl) adipate
CAS103-23-1
Molecular FormulaC22H42O4
Molecular Weight370.57
InChIInChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3
InChIKey SAOKZLXYCUGLFA-UHFFFAOYSA-N
SmilesC(OCC(CC)CCCC)(=O)CCCCC(OCC(CC)CCCC)=O
Mass
MS-NW-5535 di-2-ethylhexyl adipate C22H42O4 (Mass of molecular ion: 370)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 1.0 27.0 4.5 28.0 2.2 29.0 9.8 39.0 2.9 41.0 18.7 42.0 4.8 43.0 20.7 53.0 1.2 54.0 1.4 55.0 23.3 56.0 10.8 57.0 41.9 58.0 2.1 59.0 1.8 67.0 1.2 68.0 1.5 69.0 7.4 70.0 35.1 71.0 29.7 72.0 1.8 73.0 1.3 82.0 2.4 83.0 13.6 84.0 8.3 85.0 1.4 87.0 5.7 97.0 1.3 100.0 5.1 101.0 8.1 102.0 2.7 111.0 10.8 112.0 27.0 113.0 16.0 114.0 1.4 128.0 4.4 129.0 100.0 130.0 7.1 131.0 1.1 142.0 2.1 146.0 2.5 147.0 14.3 148.0 1.1 199.0 1.4 212.0 1.5 241.0 7.0 242.0 1.2 259.0 2.7
90 MHz in CDCl3
400 MHz in CDCl3
1H NMR | 89.56 MHz |
C22 H42 O4 | 0.04 ml : 0.5 ml CDCl3 |
di-2-ethylhexyl adipate |
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Assign. Shift(ppm) |
Hz ppm Int.
359.69 4.017 458 354.25 3.956 481 215.19 2.403 63 214.56 2.396 61 214.19 2.392 61 213.50 2.384 55 212.88 2.377 55 211.19 2.359 72 210.56 2.352 66 208.56 2.329 205 206.69 2.308 119 204.44 2.283 69 202.69 2.264 84 201.88 2.255 100 155.81 1.740 92 152.38 1.702 110 152.06 1.698 110 151.56 1.693 105 148.75 1.661 241 145.63 1.627 117 144.88 1.618 125 141.69 1.583 98 139.81 1.562 60 139.13 1.554 53 138.81 1.550 51 138.44 1.546 53 136.06 1.520 57 134.38 1.501 86 133.06 1.486 65 131.75 1.472 57 131.06 1.464 56 129.19 1.443 90 127.38 1.423 215 122.06 1.363 154 121.75 1.360 151 119.63 1.336 273 117.50 1.312 446 117.38 1.311 446 114.50 1.279 647 113.38 1.266 674 109.13 1.219 125 107.94 1.206 157 105.31 1.176 65 104.81 1.171 61 103.75 1.159 53 103.06 1.151 49 102.13 1.141 48 101.63 1.135 46 100.38 1.121 47 92.19 1.030 55 90.00 1.005 46 86.00 0.961 399 82.00 0.916 140 79.56 0.889 1000 71.94 0.804 185 70.00 0.782 99
1H NMR | 399.65 MHz |
C22 H42 O4 | 0.04 ml : 0.5 ml CDCl3 |
di-2-ethylhexyl adipate |
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Assign. Shift(ppm) |
Hz ppm Int.
1609.38 4.027 43 1603.64 4.013 52 1598.51 4.000 286 1596.07 3.994 313 1592.77 3.986 298 1590.09 3.979 302 1585.21 3.967 44 1579.22 3.952 41 941.89 2.357 41 938.96 2.350 109 937.74 2.347 113 936.40 2.344 111 934.57 2.339 138 931.88 2.332 273 925.90 2.317 115 924.80 2.315 130 921.88 2.307 42 677.49 1.696 41 674.56 1.688 121 673.34 1.685 106 670.53 1.678 160 667.36 1.670 328 664.18 1.662 156 661.62 1.656 94 660.28 1.653 113 657.35 1.645 33 631.84 1.581 60 625.85 1.566 86 619.75 1.551 72 613.77 1.536 35 556.40 1.393 58 555.05 1.389 66 548.58 1.373 181 547.73 1.371 176 542.36 1.358 162 541.02 1.354 277 534.67 1.338 177 533.69 1.336 225 530.15 1.327 108 526.49 1.318 166 525.39 1.315 150 521.85 1.306 249 516.97 1.294 419 514.77 1.289 697 513.67 1.286 729 503.17 1.260 75 375.24 0.939 38 363.40 0.910 597 357.79 0.896 616 355.83 0.891 1000 350.83 0.878 275 348.39 0.872 466
in CDCl3
CCl4 solution
liquid film
Bis(2-ethylhexyl) adipate(103-23-1) 1H NMR Atlas of Related Products
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