trans-2-Pentene(646-04-8) MS
Product Nametrans-2-Pentene
CAS646-04-8
Molecular FormulaC5H10
Molecular Weight70.13
InChIInChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3+
InChIKey QMMOXUPEWRXHJS-HWKANZROSA-N
SmilesC/C=C/CC
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MassMS-NW-4646 trans-2-pentene C5H10 (Mass of molecular ion: 70)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.2 18.0 1.0 26.0 2.0 27.0 14.4 28.0 1.6 29.0 22.0 37.0 1.2 38.0 2.4 39.0 22.8 40.0 4.6 41.0 27.8 42.0 37.1 43.0 2.0 50.0 1.7 51.0 2.1 53.0 8.4 54.0 3.2 55.0 100.0 56.0 4.8 67.0 2.7 69.0 3.0 70.0 38.3 71.0 2.5
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C5 H10 0.04 ml : 0.5 ml CDCl3 trans-2-pentene 
Assign. Shift(ppm)
A 5.47 B 5.40 C 1.97 D 1.637 E 0.960 400MHZ : HSP-41-074
Hz ppm Int.492.69 5.502 83 491.63 5.490 159 489.19 5.463 127 487.94 5.449 374 486.81 5.436 225 484.38 5.409 282 483.25 5.396 203 482.13 5.384 43 479.50 5.354 88 478.69 5.345 34 469.13 5.239 30 191.44 2.138 34 189.25 2.114 34 186.63 2.084 36 185.75 2.075 46 184.50 2.061 79 183.50 2.049 101 181.88 2.031 85 181.25 2.024 75 179.56 2.005 81 178.56 1.994 94 176.94 1.976 100 175.75 1.963 135 174.75 1.952 99 174.13 1.945 70 173.44 1.937 65 172.31 1.924 100 170.88 1.908 79 169.63 1.895 60 168.69 1.884 55 168.31 1.880 57 167.06 1.866 32 165.56 1.849 36 164.31 1.835 32 163.44 1.825 38 163.00 1.821 36 151.31 1.690 71 150.38 1.680 315 149.00 1.664 597 147.63 1.649 477 145.56 1.626 567 144.25 1.611 602 142.88 1.596 261 92.81 1.037 489 85.75 0.958 1000 85.19 0.952 663 78.06 0.872 341 77.38 0.865 181
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1H NMR 399.65 MHz C5 H10 0.05 ml : 0.5 ml CDCl3 trans-2-pentene Assign. Shift(ppm)
A 5.45 B 5.41 C 1.985 D 1.637 E 0.958 90MHZ : HSP-04-223 ASSIGNED BY C-H COSY.
Hz ppm Int.2198.85 5.502 33 2192.99 5.488 58 2192.02 5.485 47 2187.26 5.473 31 2185.06 5.468 34 2183.72 5.465 82 2182.50 5.462 86 2178.96 5.453 78 2177.73 5.450 185 2176.88 5.447 220 2173.95 5.440 124 2172.85 5.437 136 2172.00 5.435 176 2169.07 5.428 271 2168.21 5.426 121 2164.18 5.416 128 2163.33 5.414 185 2162.23 5.411 97 2158.57 5.402 48 2157.35 5.399 63 2156.13 5.396 34 2153.81 5.390 55 2153.08 5.388 38 2148.93 5.378 34 2148.19 5.376 65 2147.09 5.373 40 807.25 2.020 65 805.91 2.017 45 799.93 2.002 198 798.46 1.998 132 797.00 1.995 64 796.39 1.993 68 794.92 1.990 145 793.58 1.986 176 792.48 1.983 245 790.89 1.979 153 789.55 1.976 66 788.94 1.975 68 787.48 1.971 140 786.13 1.968 137 785.03 1.965 148 783.57 1.961 81 781.49 1.956 30 780.03 1.952 53 778.69 1.949 46 777.83 1.947 36 777.47 1.946 37 659.30 1.650 293 657.96 1.647 489 656.62 1.643 513 655.27 1.640 325 653.20 1.635 317 651.86 1.632 624 650.51 1.628 444 390.14 0.977 675 387.57 0.970 31 382.69 0.958 1000 375.12 0.939 622
in CDCl3
liquid film
