N-BUTYL ETHYL SULFIDE(638-46-0) IR1
Product NameN-BUTYL ETHYL SULFIDE
CAS638-46-0
Molecular FormulaC6H14S
Molecular Weight118.24
InChIInChI=1S/C6H14S/c1-3-5-6-7-4-2/h3-6H2,1-2H3
InChIKey XJIRSLHMKBUGMR-UHFFFAOYSA-N
SmilesC(SCC)CCC
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MassMS-NW-1480 butyl ethyl sulfide C6H14S (Mass of molecular ion: 118)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.0 18.0 1.0 26.0 3.3 27.0 35.6 28.0 9.4 29.0 49.5 30.0 1.2 34.0 1.2 35.0 9.2 39.0 10.9 40.0 2.0 41.0 49.1 42.0 3.6 43.0 4.3 45.0 11.8 46.0 11.8 47.0 47.9 48.0 6.4 49.0 2.4 53.0 1.9 54.0 1.0 55.0 16.9 56.0 68.2 57.0 17.1 58.0 3.1 59.0 5.7 60.0 6.1 61.0 37.5 62.0 47.0 63.0 19.6 64.0 2.4 66.0 1.4 75.0 100.0 76.0 8.3 77.0 4.8 89.0 24.6 90.0 2.8 91.0 1.3 94.0 1.0 103.0 1.9 118.0 56.4 119.0 4.4 120.0 2.7 122.0 1.5
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C6 H14 S 0.05 ml : 0.5 ml CDCl3 butyl ethyl sulfide 
Assign. Shift(ppm)
A 2.530 B 2.527 C 1.569 D 1.416 E 1.255 F 0.922
Hz ppm Int.1023.56 2.562 147 1016.11 2.543 522 1008.79 2.525 568 1001.10 2.505 287 642.70 1.609 50 642.09 1.607 45 636.11 1.592 97 635.50 1.591 114 634.16 1.587 62 632.93 1.584 66 629.03 1.574 82 628.17 1.572 159 625.12 1.565 66 621.09 1.555 120 620.24 1.552 116 618.53 1.548 58 618.04 1.547 55 613.04 1.534 68 612.43 1.533 63 583.13 1.460 47 576.05 1.442 114 570.68 1.428 51 570.07 1.427 55 568.85 1.424 135 568.12 1.422 135 563.35 1.410 51 562.74 1.409 53 561.52 1.406 104 560.42 1.403 137 553.34 1.385 83 546.26 1.367 31 508.42 1.273 569 505.62 1.266 31 501.10 1.254 1000 493.53 1.235 514 375.24 0.939 446 372.07 0.931 35 367.92 0.921 829 365.48 0.915 33 360.60 0.903 354
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1H NMR 89.56 MHz C6 H14 S 0.04 ml : 0.5 ml CDCl3 butyl ethyl sulfide Assign. Shift(ppm)
A 2.53 B 2.52 C 1.57 D 1.44 E 1.26 F 0.92
Hz ppm Int.238.56 2.664 78 232.94 2.601 88 230.75 2.577 253 228.44 2.551 88 226.19 2.526 182 223.38 2.495 273 219.25 2.449 128 216.44 2.417 95 148.75 1.661 58 146.56 1.637 64 142.63 1.593 75 141.63 1.582 84 140.50 1.569 77 139.25 1.555 129 135.88 1.518 156 134.31 1.500 153 131.88 1.473 179 129.25 1.444 125 127.69 1.426 102 126.81 1.416 61 125.13 1.398 70 124.56 1.391 58 123.50 1.379 55 123.06 1.375 55 122.63 1.370 58 122.06 1.363 56 121.13 1.353 60 119.44 1.334 477 118.38 1.322 110 116.06 1.296 52 115.25 1.287 55 114.69 1.281 51 113.81 1.271 30 112.31 1.255 1000 109.63 1.225 40 109.31 1.221 40 104.69 1.169 335 88.88 0.993 196 88.13 0.985 167 85.69 0.957 55 84.19 0.941 54 82.31 0.920 483 79.88 0.892 129 77.69 0.868 47 77.13 0.862 46 76.06 0.850 71 74.94 0.837 89 73.13 0.817 52
in CDCl3
CCl4 solution
liquid film
