Product NameCIS-2-HEXENE
CAS4050-45-7
Molecular FormulaC6H12
Molecular Weight84.16
InChIInChI=1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+
InChIKey RYPKRALMXUUNKS-HWKANZROSA-N
SmilesC/C=C/CCC
Mass
MS-NW-3701 trans-2-hexene C6H12 (Mass of molecular ion: 84)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.1 26.0 2.0 27.0 17.9 28.0 2.9 29.0 21.3 38.0 1.6 39.0 18.9 40.0 3.4 41.0 36.8 42.0 45.2 43.0 12.0 50.0 1.7 51.0 2.3 52.0 1.0 53.0 6.9 54.0 7.0 55.0 100.0 56.0 23.3 57.0 1.2 67.0 2.9 69.0 19.5 70.0 1.2 84.0 34.3 85.0 2.5
400 MHz in CDCl3
90 MHz in CDCl3
1H NMR | 399.65 MHz |
C6 H12 | 0.05 ml : 0.5 ml CDCl3 |
trans-2-hexene |
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Assign. Shift(ppm) |
Hz ppm Int.
2170.41 5.431 91 2168.82 5.427 200 2167.36 5.424 134 2165.41 5.419 372 2163.70 5.414 252 2162.48 5.411 260 2161.13 5.408 139 2160.40 5.406 212 2158.69 5.402 56 2157.59 5.399 100 789.67 1.976 31 788.33 1.973 58 786.99 1.970 93 785.16 1.965 65 784.06 1.962 74 782.96 1.960 79 781.49 1.956 115 779.79 1.952 159 777.95 1.947 122 776.98 1.945 114 776.00 1.942 122 774.90 1.939 131 773.56 1.936 116 772.34 1.933 113 769.78 1.927 78 768.31 1.923 67 767.09 1.920 77 765.99 1.917 37 662.96 1.659 33 659.67 1.651 352 658.33 1.648 523 657.10 1.645 383 654.91 1.639 439 653.56 1.636 521 652.22 1.632 278 648.56 1.623 33 561.65 1.406 57 554.20 1.387 196 546.75 1.369 310 539.43 1.350 313 532.10 1.332 203 524.90 1.314 63 360.47 0.902 587 353.15 0.884 1000 345.70 0.866 492
1H NMR | 89.56 MHz |
C6 H12 | 0.04 ml : 0.5 ml CDCl3 |
trans-2-hexene |
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Assign. Shift(ppm) |
Hz ppm Int.
490.56 5.478 124 489.13 5.462 213 486.31 5.430 440 484.06 5.405 429 483.50 5.399 371 481.31 5.375 309 479.06 5.350 157 184.38 2.059 50 183.44 2.049 85 180.19 2.012 81 179.44 2.004 84 177.00 1.977 151 174.06 1.944 147 172.88 1.931 149 171.44 1.915 131 170.38 1.903 151 168.25 1.879 125 167.56 1.871 122 165.94 1.853 70 164.56 1.838 105 162.69 1.817 66 150.50 1.681 359 149.25 1.667 733 148.00 1.653 515 147.00 1.642 468 145.81 1.629 546 144.56 1.615 744 143.88 1.607 267 143.25 1.600 348 141.25 1.578 43 140.31 1.567 67 139.63 1.560 71 135.00 1.508 43 133.69 1.493 88 132.31 1.478 245 131.13 1.465 76 126.88 1.417 136 125.56 1.402 202 124.50 1.391 196 120.19 1.343 92 119.06 1.330 186 117.50 1.312 322 115.75 1.293 42 112.94 1.262 80 111.63 1.247 103 110.81 1.238 213 104.94 1.172 65 104.19 1.164 74 86.56 0.967 353 85.69 0.957 598 84.81 0.947 415 79.00 0.883 1000 72.56 0.811 164 71.50 0.799 302 69.81 0.780 150
in CDCl3
liquid film
CIS-2-HEXENE(4050-45-7) IR1 Atlas of Related Products
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