trans-2-Pentenal(1576-87-0) Raman
Product Nametrans-2-Pentenal
CAS1576-87-0
Molecular FormulaC5H8O
Molecular Weight84.12
InChIInChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3+
InChIKey DTCCTIQRPGSLPT-ONEGZZNKSA-N
SmilesC(=O)/C=C/CC
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MassMS-IW-3647 trans-2-pentenal C5H8O (Mass of molecular ion: 84)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 1.4 26.0 7.1 27.0 36.8 28.0 13.7 29.0 49.2 30.0 1.2 31.0 1.2 37.0 3.3 38.0 6.1 39.0 46.2 40.0 8.0 41.0 50.9 42.0 6.4 43.0 6.3 44.0 2.0 45.0 1.3 49.0 2.3 50.0 8.0 51.0 7.8 52.0 2.5 53.0 19.2 54.0 4.5 55.0 100.0 56.0 19.4 57.0 8.9 58.0 1.1 65.0 4.2 66.0 6.2 67.0 1.8 68.0 1.6 69.0 12.1 81.0 1.2 83.0 65.7 84.0 87.5 85.0 5.2
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C5 H8 O 0.05 ml : 0.5 ml CDCl3 trans-2-pentenal 
Assign. Shift(ppm)
A 9.521 B 6.942 C 6.116 D 2.380 E 1.132 J(A,C)=7.8HZ J(B,C)=15.7HZ J(C,D)=-1.7HZ
Hz ppm Int.3809.51 9.533 507 3801.73 9.513 492 2788.70 6.978 120 2782.59 6.963 237 2776.34 6.947 128 2773.13 6.939 140 2766.88 6.924 245 2760.77 6.908 139 2457.73 6.150 115 2456.05 6.146 208 2454.38 6.142 108 2449.80 6.130 102 2448.27 6.127 191 2446.59 6.122 108 2442.17 6.111 100 2440.49 6.107 196 2438.81 6.103 108 2434.23 6.091 105 2432.56 6.087 194 2430.88 6.083 103 966.49 2.419 89 964.81 2.415 89 960.39 2.404 105 959.01 2.400 290 957.34 2.396 266 952.91 2.385 260 951.54 2.381 330 949.86 2.377 255 945.43 2.366 261 943.76 2.362 275 942.54 2.359 113 937.96 2.347 96 936.43 2.344 96 459.59 1.150 688 457.00 1.144 41 452.27 1.132 1000 447.39 1.120 37 444.79 1.113 623 440.06 1.102 37
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1H NMR 89.56 MHz C5 H8 O 0.05 ml : 0.5 ml CDCl3 trans-2-pentenal Assign. Shift(ppm)
A 9.513 B 6.933 C 6.118 D 2.380 E 1.134
Hz ppm Int.856.13 9.560 619 848.36 9.473 644 636.40 7.106 104 630.25 7.038 202 624.17 6.970 115 620.73 6.931 155 614.58 6.863 298 608.50 6.795 162 559.57 6.248 130 558.03 6.231 236 556.42 6.213 121 551.81 6.162 124 550.27 6.145 220 548.66 6.127 120 543.97 6.074 82 542.36 6.056 155 540.82 6.039 86 536.21 5.988 77 534.59 5.970 151 533.06 5.952 79 228.44 2.551 60 227.78 2.544 60 226.90 2.534 60 226.17 2.526 60 222.44 2.484 76 221.34 2.472 117 220.61 2.464 192 218.99 2.446 174 215.33 2.405 108 214.53 2.396 190 214.16 2.392 200 213.79 2.388 228 212.92 2.378 310 212.26 2.371 178 211.60 2.363 188 207.71 2.320 146 206.91 2.311 211 206.18 2.303 197 205.44 2.294 224 204.71 2.286 111 203.98 2.278 92 200.17 2.236 78 199.51 2.228 80 198.56 2.218 75 197.90 2.210 75 108.18 1.208 584 105.25 1.176 67 101.00 1.128 1000 100.56 1.123 865 98.51 1.100 84 96.46 1.078 63 95.95 1.072 63 93.46 1.044 424 92.87 1.037 272
in CDCl3
liquid film
