Cyclopentene(142-29-0) Raman
Product NameCyclopentene
CAS142-29-0
Molecular FormulaC5H8
Molecular Weight68.12
InChIInChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2
InChIKey LPIQUOYDBNQMRZ-UHFFFAOYSA-N
SmilesC1CCCC=1
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MassMS-NW-3720 cyclopentene C5H8 (Mass of molecular ion: 68)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
26.0 1.9 27.0 8.1 28.0 1.3 29.0 1.1 31.0 1.4 37.0 2.3 38.0 4.6 39.0 24.3 40.0 12.9 41.0 15.7 42.0 8.0 50.0 1.6 51.0 2.2 52.0 1.2 53.0 22.2 54.0 1.8 55.0 1.6 61.0 1.1 62.0 1.5 63.0 2.0 65.0 5.5 66.0 6.1 67.0 100.0 68.0 44.4 69.0 2.6 82.0 1.7 83.0 1.8
90 MHz in CDCl3
parameter neat
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1H NMR 89.56 MHz C5 H8 0.04 ml : 0.5 ml CDCl3 cyclopentene 
Assign. Shift(ppm)
A 5.73 B 2.30 C 1.82
Hz ppm Int.516.38 5.766 52 515.75 5.759 60 513.81 5.738 444 513.13 5.730 1000 512.44 5.722 535 511.38 5.710 140 510.63 5.702 96 509.94 5.694 87 509.19 5.686 48 508.69 5.680 36 508.19 5.675 34 507.50 5.667 38 218.06 2.435 43 217.00 2.423 81 216.50 2.418 55 216.19 2.414 58 214.56 2.396 170 213.94 2.389 209 212.88 2.377 136 212.00 2.368 56 211.56 2.363 64 211.13 2.358 65 210.38 2.350 50 209.69 2.342 133 209.31 2.338 99 208.25 2.326 285 207.63 2.319 598 207.13 2.313 593 205.44 2.294 172 204.75 2.287 121 203.69 2.275 138 203.00 2.267 105 202.38 2.260 64 201.19 2.247 316 200.63 2.241 411 199.75 2.231 470 198.94 2.222 297 197.06 2.201 96 196.44 2.194 42 194.88 2.176 33 193.13 2.157 65 191.94 2.144 36 190.94 2.132 37 183.63 2.051 31 176.63 1.973 181 175.75 1.963 39 175.19 1.957 234 172.19 1.923 49 171.13 1.911 95 170.50 1.904 136 169.38 1.892 149 169.00 1.888 225 167.88 1.875 189 167.00 1.865 44 166.63 1.861 54 165.81 1.852 97 164.19 1.834 130 162.75 1.818 133 162.00 1.809 225 161.38 1.802 201 160.63 1.794 98 160.00 1.787 90 159.31 1.779 62 158.00 1.765 74 157.38 1.758 30 156.69 1.750 49 155.75 1.740 79 154.88 1.730 128 154.06 1.721 125 152.75 1.706 71 151.56 1.693 61 148.13 1.654 80 145.88 1.629 75
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1H NMR 300 MHz C5 H8 neat cyclopentene Parameter ppm Hz
D(A) 5.660 D(B) 5.660 D(C) 2.269 D(D) 1.788 J(A,B) 5.77 J(A,C) -2.25 J(A,C') -2.25 J(A,C'') 2.33 J(A,C''') 2.33 J(A,D) 0.01 J(A,D') 0.01 J(B,C) 2.33 J(B,C') 2.33 J(B,C'') -2.25 J(B,C''') -2.25 J(B,D) 0.01 J(B,D') 0.01 J(C,C') -16.06 J(C,C'') 2.13 J(C,C''') 2.97 J(C,D) 9.34 J(C,D') 5.71 J(C',C'') 2.97 J(C',C''') 2.13 J(C',D) 5.71 J(C',D') 9.34 J(C'',C''') -16.06 J(C'',D) 9.34 J(C'',D') 5.71 J(C''',D) 5.71 J(C''',D') 9.34 J(D,D') -12.74 LEMARIE,B. ET AL. J.CHIM.PHYS. 72, 1254 (1975)
Hz ppm Int.1707.96 5.693 11 1705.20 5.684 20 1703.85 5.679 39 1698.01 5.660 917 1692.22 5.641 40 1690.82 5.636 21 1688.11 5.627 11 694.24 2.314 16 690.76 2.303 71 688.41 2.295 556 686.10 2.287 99 681.00 2.270 1000 673.48 2.245 561 667.72 2.226 19 666.26 2.221 10 551.33 1.838 108 550.67 1.836 110 545.32 1.818 70 543.11 1.810 276 537.69 1.792 120 536.03 1.787 401 531.41 1.771 38 528.37 1.761 230 521.33 1.738 72 520.67 1.736 70
in CDCl3
liquid film
