3-PENTENENITRILE(16529-66-1) 1H NMR
Product Name3-PENTENENITRILE
CAS16529-66-1
Molecular FormulaC5H7N
Molecular Weight81.12
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MassMS-IW-9171 trans-3-pentenenitrile C5H7N (Mass of molecular ion: 81)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.2 26.0 7.7 27.0 18.5 28.0 23.2 29.0 3.1 37.0 4.4 38.0 8.2 38.5 1.4 39.0 45.7 40.0 4.5 41.0 85.5 42.0 3.5 49.0 1.8 50.0 6.6 51.0 9.3 52.0 13.1 53.0 27.1 54.0 100.0 55.0 6.0 64.0 2.5 66.0 9.0 75.0 1.7 76.0 1.3 80.0 11.0 81.0 41.4 82.0 3.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H7 N 0.05 ml : 0.5 ml CDCl3 trans-3-pentenenitrile 
Assign. Shift(ppm)
A 5.829 B 5.375 C 3.058 D 1.729
Hz ppm Int.2347.90 5.875 61 2343.02 5.863 98 2341.31 5.859 179 2339.60 5.855 100 2336.43 5.847 101 2334.72 5.842 192 2333.01 5.838 122 2330.93 5.833 51 2329.96 5.831 49 2327.76 5.825 133 2326.05 5.821 214 2324.34 5.816 117 2321.17 5.809 113 2319.58 5.805 207 2317.87 5.800 116 2312.99 5.788 74 2161.87 5.410 114 2160.03 5.405 116 2157.96 5.400 97 2156.25 5.396 213 2154.42 5.391 211 2152.71 5.387 96 2150.51 5.381 113 2148.80 5.377 119 2146.61 5.372 104 2144.90 5.367 96 2142.70 5.362 83 2140.99 5.358 181 2139.28 5.353 179 2137.45 5.349 80 2135.38 5.344 94 2133.54 5.339 93 1228.27 3.074 192 1226.81 3.070 518 1225.10 3.066 680 1223.51 3.062 510 1222.78 3.060 262 1221.92 3.058 251 1221.07 3.056 494 1219.48 3.052 646 1217.90 3.048 470 1216.31 3.044 171 696.53 1.743 515 694.95 1.739 1000 693.24 1.735 955 691.65 1.731 453 689.94 1.727 456 688.35 1.723 922 686.65 1.719 887 685.06 1.715 416
in CDCl3
