ITACONIC ACID DI(2-ETHYLHEXYL) ESTER
Product Name ITACONIC ACID DI(2-ETHYLHEXYL) ESTER
CAS2287-83-4
MFC21H38O4
MW354.52
-
MassMS-NW-5327 bis(2-ethylhexyl) methylenesuccinate C21H38O4 (Mass of molecular ion: 354)
Source Temperature: 280 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 5.9 28.0 3.7 29.0 16.8 39.0 5.9 40.0 6.6 41.0 31.2 42.0 6.4 43.0 45.6 44.0 1.6 53.0 1.8 54.0 2.0 55.0 24.6 56.0 13.9 57.0 100.0 58.0 4.4 67.0 1.8 68.0 5.9 69.0 12.0 70.0 50.3 71.0 73.6 72.0 4.6 82.0 2.9 83.0 16.6 84.0 9.3 85.0 7.8 86.0 8.1 97.0 1.9 98.0 1.0 99.0 1.2 111.0 1.9 112.0 32.8 113.0 53.0 114.0 6.1 126.0 4.6 127.0 1.0 130.0 2.7 131.0 30.6 132.0 2.4 144.0 2.9 225.0 1.7 243.0 1.9
400 MHz in CDCl3
90 MHz in CDCl3
-
1H NMR 399.65 MHz C21 H38 O4 0.05 ml : 0.5 ml CDCl3 bis(2-ethylhexyl) methylenesuccinate 
Assign. Shift(ppm)
A 6.316 B 5.685 C *1 4.09 D *1 4.07 E *2 4.02 F *2 4.00 G 3.343 J *3 1.61 K *3 1.56 L 1.42 to 1.26 M *4 0.90 N *4 0.89 90MHZ : HSP-02-564 J(A,B)=1.1HZ J(B,G)=-1.0HZ
Hz ppm Int.2524.78 6.318 270 2523.80 6.316 278 2272.71 5.687 243 2271.48 5.684 248 1646.61 4.121 43 1640.99 4.107 53 1635.62 4.093 222 1631.35 4.082 250 1630.13 4.079 256 1625.61 4.068 223 1620.48 4.055 52 1617.43 4.048 42 1614.62 4.041 51 1611.69 4.033 43 1606.45 4.020 208 1603.03 4.012 225 1600.83 4.006 232 1597.05 3.997 216 1592.16 3.984 45 1586.18 3.969 39 1336.67 3.345 516 1336.18 3.344 519 650.88 1.629 51 644.90 1.614 74 638.92 1.599 69 632.81 1.584 54 630.74 1.579 58 624.76 1.564 72 618.65 1.548 60 612.79 1.534 32 566.53 1.418 59 559.08 1.399 184 551.64 1.381 275 544.31 1.362 296 536.62 1.343 299 532.47 1.333 194 529.17 1.325 349 525.27 1.315 363 523.19 1.310 533 519.65 1.301 532 517.21 1.295 455 510.99 1.279 619 508.91 1.274 505 374.27 0.937 45 368.53 0.923 447 361.21 0.904 1000 359.74 0.901 820 357.06 0.894 691 352.29 0.882 926 344.85 0.863 349
-
1H NMR 89.56 MHz C21 H38 O4 0.04 ml : 0.5 ml CDCl3 bis(2-ethylhexyl) methylenesuccinate Assign. Shift(ppm)
A 6.311 B 5.678 C *1 4.07 D *1 4.02 E 3.339 F 1.69 to 1.47 G 1.30 J 0.89 400MHZ : HSP-42-793
Hz ppm Int.565.81 6.318 246 564.69 6.306 256 510.31 5.698 78 509.25 5.687 236 508.06 5.673 239 506.94 5.661 89 367.88 4.108 374 362.56 4.049 456 361.50 4.037 387 356.13 3.977 357 299.56 3.345 458 298.69 3.336 453 146.44 1.636 48 145.44 1.624 52 145.06 1.620 51 144.75 1.617 53 144.44 1.613 53 143.44 1.602 51 142.00 1.586 58 140.75 1.572 66 140.19 1.566 70 139.50 1.558 72 139.13 1.554 72 138.00 1.541 80 137.50 1.536 82 136.88 1.529 84 136.00 1.519 80 134.38 1.501 96 134.00 1.497 97 133.50 1.491 96 131.94 1.474 106 129.88 1.451 201 128.56 1.436 133 126.44 1.412 217 124.44 1.390 196 122.19 1.365 287 116.88 1.306 866 114.94 1.284 1000 107.13 1.197 172 104.38 1.166 79 102.56 1.146 59 101.63 1.135 55 101.06 1.129 52 100.56 1.123 51 100.13 1.119 52 99.56 1.112 47 99.38 1.110 47 98.13 1.096 39 92.81 1.037 50 92.50 1.033 51 92.19 1.030 51 91.38 1.021 54 90.88 1.015 56 86.44 0.966 481 85.38 0.954 478 82.69 0.924 259 80.69 0.901 983 78.81 0.880 860 74.06 0.827 254 73.19 0.818 270 71.44 0.798 203 69.50 0.777 96
in CDCl3
liquid film
More Suppliers
