Diethylene Glycol Dibutyl Ether(112-73-2) 1H NMR
Product NameDiethylene Glycol Dibutyl Ether
CAS112-73-2
Molecular FormulaC12H26O3
Molecular Weight218.33
InChIInChI=1S/C12H26O3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h3-12H2,1-2H3
InChIKey KZVBBTZJMSWGTK-UHFFFAOYSA-N
SmilesO(CCOCCCC)CCOCCCC
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MassMS-NW-8489 diethylene glycol dibutyl ether C12H26O3 (Mass of molecular ion: 218)
Source Temperature: 250 °C Sample Temperature: 140 °C Reservoir, 75 eV
15.0 1.3 27.0 6.7 28.0 7.1 29.0 31.4 30.0 1.5 31.0 3.5 39.0 3.0 41.0 32.8 42.0 2.5 43.0 6.9 44.0 6.3 45.0 51.8 46.0 1.2 55.0 7.3 56.0 30.6 57.0 100.0 58.0 5.4 59.0 15.7 60.0 1.1 61.0 1.0 63.0 1.0 69.0 2.1 71.0 4.7 72.0 6.8 73.0 5.1 75.0 23.8 83.0 1.4 85.0 14.8 86.0 1.0 87.0 10.6 88.0 1.2 89.0 4.2 100.0 11.7 101.0 12.1 103.0 2.0 117.0 1.7 131.0 3.1 144.0 1.0
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C12 H26 O3 0.05 ml : 0.5 ml CDCl3 diethylene glycol dibutyl ether 
Assign. Shift(ppm)
A *1 3.647 B *1 3.587 C 3.464 D 1.568 E 1.370 F 0.915 90MHZ : HSP-02-815
Hz ppm Int.1463.87 3.663 194 1462.89 3.661 208 1459.23 3.652 408 1458.62 3.650 326 1456.79 3.646 333 1453.98 3.639 353 1452.64 3.635 319 1447.63 3.623 36 1446.78 3.621 36 1444.70 3.615 37 1444.09 3.614 37 1438.72 3.600 278 1437.38 3.597 358 1434.57 3.590 326 1432.86 3.586 280 1432.01 3.584 454 1428.47 3.575 187 1427.49 3.572 208 1391.24 3.482 390 1384.40 3.465 692 1377.81 3.448 402 640.75 1.604 75 638.79 1.599 34 634.64 1.588 175 633.79 1.586 213 631.47 1.581 103 627.93 1.572 197 627.08 1.570 245 624.76 1.564 185 619.14 1.550 231 612.30 1.533 108 565.31 1.415 65 559.81 1.401 53 557.86 1.396 177 552.37 1.383 113 550.17 1.377 242 544.92 1.364 118 542.48 1.358 252 537.60 1.346 62 535.28 1.340 164 528.08 1.322 56 378.05 0.946 43 375.61 0.940 73 373.17 0.934 578 368.41 0.922 120 365.84 0.916 1000 360.96 0.904 81 358.40 0.897 525 353.52 0.885 43
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1H NMR 89.56 MHz C12 H26 O3 0.04 ml : 0.5 ml CDCl3 diethylene glycol dibutyl ether Assign. Shift(ppm)
A 3.77 to 3.43 B 3.46 C 1.54 D 1.36 E 0.92
Hz ppm Int.334.44 3.735 50 332.81 3.717 44 330.94 3.696 106 327.88 3.662 225 325.56 3.636 490 324.13 3.620 1000 323.38 3.611 989 321.88 3.595 529 319.56 3.569 249 316.63 3.536 287 315.25 3.520 109 313.00 3.495 87 310.19 3.464 664 303.81 3.393 310 147.75 1.650 69 146.56 1.637 64 145.56 1.626 60 144.69 1.616 46 144.50 1.614 46 141.38 1.579 139 140.56 1.570 134 138.94 1.552 118 137.06 1.531 129 134.94 1.507 218 133.81 1.495 168 132.31 1.478 147 131.50 1.469 176 130.94 1.463 168 129.69 1.449 137 127.75 1.427 126 125.88 1.406 142 124.13 1.386 119 122.13 1.364 52 120.44 1.345 125 118.94 1.329 66 117.31 1.310 129 115.13 1.286 59 114.19 1.276 59 111.06 1.241 94 109.50 1.223 50 104.50 1.167 46 89.31 0.998 185 88.50 0.989 325 84.31 0.942 60 81.88 0.915 773 80.25 0.897 199 77.19 0.862 68 75.75 0.846 116 74.44 0.832 134 72.38 0.809 75
in CDCl3
CCl4 solution
liquid film
4880 A,100M,liquid
