SEC-BUTYL ETHER(6863-58-7) IR2
Product NameSEC-BUTYL ETHER
CAS6863-58-7
Molecular FormulaC8H18O
Molecular Weight130.23
InChIInChI=1S/C8H18O/c1-5-7(3)9-8(4)6-2/h7-8H,5-6H2,1-4H3
InChIKey HHBZZTKMMLDNDN-UHFFFAOYSA-N
SmilesO(C(CC)C)C(CC)C
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MassMS-NW-2120 di-sec-butyl ether C8H18O (Mass of molecular ion: 130)
Source Temperature: 250 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 1.2 27.0 8.0 28.0 2.0 29.0 23.8 31.0 2.9 39.0 5.2 41.0 28.8 42.0 1.7 43.0 4.7 44.0 1.3 45.0 100.0 46.0 2.2 53.0 1.0 55.0 8.3 56.0 6.8 57.0 84.5 58.0 3.8 59.0 29.5 60.0 1.0 73.0 5.4 83.0 9.7 97.0 1.1 101.0 39.1 102.0 2.6 112.0 1.0 115.0 1.0
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C8 H18 O 0.05 ml : 0.5 ml CDCl3 di-sec-butyl ether 
Assign. Shift(ppm)
A *1 3.36 B *1 3.34 C *2 1.51 D *2 1.41 E *3 1.113 F *3 1.094 G 0.90 OPTICAL ISOMERS
Hz ppm Int.1352.66 3.385 89 1346.56 3.370 177 1345.09 3.366 85 1340.45 3.355 189 1338.99 3.351 131 1334.23 3.339 111 1332.64 3.335 122 1328.00 3.323 34 1326.54 3.320 74 623.05 1.559 57 616.82 1.544 82 615.60 1.541 62 612.92 1.534 53 610.60 1.528 52 609.38 1.525 134 608.15 1.522 42 606.81 1.519 63 606.20 1.517 70 605.47 1.516 65 603.15 1.510 103 601.93 1.507 118 599.24 1.500 125 595.58 1.491 95 594.48 1.488 53 592.53 1.483 121 591.80 1.481 114 588.26 1.472 41 585.08 1.464 109 584.47 1.463 83 581.42 1.455 37 578.74 1.449 48 576.90 1.444 100 575.44 1.440 48 573.85 1.436 94 571.29 1.430 103 569.46 1.425 111 567.87 1.421 109 566.41 1.418 101 565.06 1.414 44 563.84 1.411 116 562.13 1.407 68 560.55 1.403 125 559.20 1.400 55 557.62 1.396 55 556.52 1.393 60 555.79 1.391 62 554.20 1.387 63 553.22 1.385 73 550.17 1.377 49 546.88 1.369 57 455.32 1.140 41 448.00 1.121 957 445.56 1.115 61 441.89 1.106 986 440.31 1.102 915 434.20 1.087 898 431.88 1.081 61 379.15 0.949 46 374.51 0.938 34 373.29 0.935 46 370.73 0.928 115 368.41 0.922 640 363.77 0.911 112 361.21 0.904 1000 360.60 0.903 916 353.52 0.885 530
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1H NMR 89.56 MHz C8 H18 O 0.04 ml : 0.5 ml CDCl3 di-sec-butyl ether Assign. Shift(ppm)
A 3.35 B 1.48 C 1.10 D 0.91 OPTICALLY ACTIVE COMPOUND.
Hz ppm Int.310.25 3.465 61 308.63 3.447 59 304.19 3.397 126 302.56 3.379 118 298.13 3.329 134 296.44 3.310 122 292.13 3.262 71 290.38 3.243 65 146.63 1.638 46 145.69 1.627 51 143.25 1.600 51 142.13 1.587 34 141.69 1.583 35 139.94 1.563 83 138.38 1.546 80 137.13 1.532 92 135.81 1.517 160 133.88 1.495 104 132.13 1.476 152 130.50 1.458 143 129.81 1.450 175 128.81 1.439 183 126.00 1.407 91 124.25 1.388 155 122.88 1.373 198 119.00 1.329 51 116.81 1.305 100 115.25 1.287 35 109.19 1.220 39 104.25 1.165 43 102.56 1.146 1000 100.88 1.127 980 98.50 1.100 67 96.44 1.077 945 94.81 1.059 919 92.56 1.034 47 91.25 1.019 36 90.31 1.009 32 88.25 0.986 306 87.38 0.976 530 86.63 0.968 350 83.56 0.934 45 80.50 0.899 857 73.69 0.823 154 72.88 0.814 260 71.50 0.799 156
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
