CIS-1,3-PENTADIENE(1574-41-0) 13C NMR
Product NameCIS-1,3-PENTADIENE
CAS1574-41-0
Molecular FormulaC5H8
Molecular Weight68.12
InChIInChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4-
InChIKey PMJHHCWVYXUKFD-PLNGDYQASA-N
SmilesC=C/C=C\C
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MassMS-IW-3673 cis-1,3-pentadiene C5H8 (Mass of molecular ion: 68)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
26.0 2.9 27.0 17.0 28.0 2.0 29.0 2.5 31.0 3.6 32.0 1.0 34.0 1.1 37.0 4.4 38.0 9.2 39.0 53.1 40.0 31.5 41.0 38.3 42.0 21.4 49.0 1.2 50.0 5.5 51.0 7.4 52.0 4.3 53.0 66.6 54.0 2.9 61.0 3.4 62.0 4.7 63.0 5.8 65.0 15.5 66.0 8.8 67.0 100.0 68.0 86.6 69.0 4.8
400 MHz in CDCl3
parameter in CS2
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1H NMR 399.65 MHz C5 H8 0.05 ml : 0.5 ml CDCl3 cis-1,3-pentadiene 
Assign. Shift(ppm)
A 6.655 B 6.012 C 5.509 D 5.164 E 5.076 F 1.748 J(A,D)=16.8HZ J(A,E)=J(A,B)=10.3HZ J(A,C)=1.1HZ J(B,F)=-1.8HZ J(B,C)=12.0HZ J(C,F)=7.2HZ
Hz ppm Int.2680.05 6.706 108 2678.96 6.704 114 2669.80 6.681 131 2668.95 6.679 215 2668.09 6.677 156 2663.21 6.664 121 2662.11 6.662 127 2658.94 6.654 128 2657.71 6.651 134 2652.95 6.639 141 2651.98 6.636 232 2651.12 6.634 172 2641.97 6.611 132 2640.87 6.608 141 2417.11 6.049 48 2416.14 6.046 84 2415.28 6.044 124 2414.43 6.042 122 2413.57 6.040 130 2412.72 6.038 94 2411.74 6.035 57 2411.01 6.033 36 2406.13 6.021 88 2405.27 6.019 152 2404.42 6.017 225 2403.56 6.015 228 2402.59 6.012 240 2401.86 6.010 182 2400.88 6.008 113 2396.12 5.996 32 2395.26 5.994 53 2394.29 5.991 87 2393.55 5.990 130 2392.58 5.987 130 2391.72 5.985 141 2390.87 5.983 102 2390.01 5.981 62 2389.16 5.979 40 2218.14 5.551 41 2217.65 5.549 42 2217.29 5.549 43 2212.40 5.536 69 2211.30 5.534 117 2210.94 5.533 120 2210.08 5.531 125 2208.98 5.528 92 2207.64 5.524 51 2207.28 5.524 51 2206.42 5.521 53 2205.32 5.519 96 2204.22 5.516 125 2203.86 5.515 129 2203.37 5.514 130 2203.00 5.513 134 2201.78 5.510 121 2200.20 5.506 121 2199.71 5.505 122 2199.34 5.504 125 2198.24 5.501 102 2197.14 5.498 62 2196.29 5.496 59 2195.92 5.495 59 2194.58 5.492 85 2193.36 5.489 115 2192.99 5.488 117 2192.63 5.487 118 2192.26 5.486 121 2191.04 5.483 79 2186.28 5.471 42 2185.91 5.470 43 2185.06 5.468 43 2073.24 5.188 224 2072.51 5.186 230 2071.66 5.184 260 2071.29 5.183 259 2056.88 5.147 198 2056.40 5.146 216 2055.66 5.144 220 2054.81 5.142 253 2054.32 5.141 249 2035.77 5.094 163 2035.16 5.093 209 2034.42 5.091 244 2033.69 5.089 251 2033.08 5.088 220 2032.47 5.086 176 2025.63 5.069 163 2024.90 5.067 208 2024.29 5.066 245 2023.56 5.064 254 2022.95 5.062 221 2022.22 5.060 179 703.49 1.761 785 701.66 1.756 897 696.29 1.743 844 694.46 1.738 1000
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1H NMR 300 MHz C5 H8 50 % in CS2 cis-1,3-pentadiene Parameter ppm Hz
D(A) 5.030 D(B) 5.109 D(C) 6.592 D(D) 5.963 D(E) 5.452 D(F) 1.724 J(A,B) 2.14 J(A,C) 10.21 J(A,D) -0.83 J(A,E) 1.56 J(A,F) -0.59 J(B,C) 16.86 J(B,D) -0.86 J(B,E) 0.75 J(B,F) -0.55 J(C,D) 10.94 J(C,E) -1.10 J(C,F) 0.21 J(D,E) 10.81 J(D,F) -1.78 J(E,F) 7.02 SEGRE,A.L. ET AL. J.MOL.SPECTROSC. 32, 296 (1969)
Hz ppm Int.1997.47 6.658 105 1996.46 6.655 107 1986.42 6.621 216 1980.65 6.602 118 1979.64 6.599 117 1976.39 6.588 128 1975.38 6.585 126 1969.56 6.565 236 1959.52 6.532 131 1958.51 6.528 135 1802.43 6.008 50 1801.52 6.005 88 1800.69 6.002 123 1799.82 5.999 124 1798.95 5.996 123 1798.12 5.994 89 1797.21 5.991 52 1791.52 5.972 100 1790.65 5.969 172 1789.83 5.966 242 1788.96 5.963 246 1788.09 5.960 243 1787.26 5.958 175 1786.39 5.955 100 1780.71 5.936 52 1779.79 5.933 90 1778.96 5.930 126 1778.09 5.927 127 1777.22 5.924 126 1776.40 5.921 91 1775.53 5.918 52 1653.00 5.510 25 1652.04 5.507 40 1651.35 5.504 45 1650.76 5.503 42 1649.75 5.499 27 1645.99 5.487 74 1644.98 5.483 121 1644.39 5.481 134 1643.70 5.479 123 1642.73 5.476 85 1641.27 5.471 47 1640.53 5.468 52 1638.98 5.463 98 1638.01 5.460 128 1637.37 5.458 140 1636.68 5.456 130 1635.58 5.452 106 1634.26 5.448 113 1633.57 5.445 122 1632.93 5.443 114 1631.96 5.440 92 1630.36 5.435 57 1629.72 5.432 54 1628.25 5.427 76 1627.20 5.424 108 1626.55 5.422 118 1625.96 5.420 109 1624.95 5.416 68 1621.19 5.404 24 1620.14 5.400 37 1619.59 5.399 41 1618.90 5.396 37 1617.94 5.393 24 1541.76 5.139 243 1541.02 5.137 246 1540.24 5.134 266 1524.93 5.083 219 1524.11 5.080 231 1523.47 5.078 254 1514.99 5.050 224 1514.34 5.048 258 1513.70 5.046 251 1504.86 5.016 215 1504.17 5.014 247 1503.53 5.012 239 521.60 1.739 997 519.86 1.733 1000 514.58 1.715 989 512.84 1.709 983
in CDCl3
liquid film
