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3-METHYL-1,5-HEXADIENE(1541-33-9) MS
Product Name3-METHYL-1,5-HEXADIENE
CAS1541-33-9
Molecular FormulaC7H12
Molecular Weight96.17
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MassMS-IW-3648 3-methyl-1,5-hexadiene C7H12 (Mass of molecular ion: 96)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
26.0 1.3 27.0 15.6 28.0 2.1 29.0 24.4 38.0 2.0 39.0 29.1 40.0 3.4 41.0 17.9 42.0 1.8 50.0 2.4 51.0 4.3 52.0 1.9 53.0 17.4 54.0 16.6 55.0 100.0 56.0 7.7 65.0 2.1 66.0 2.9 67.0 23.7 68.0 12.1 69.0 1.1 77.0 2.7 79.0 5.0 81.0 52.4 82.0 3.5 95.0 2.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H12 0.05 ml : 0.5 ml CDCl3 3-methyl-1,5-hexadiene 
Assign. Shift(ppm)
A 5.760 B 5.746 C 5.00 D 4.98 E 4.96 F 4.93 G 2.215 J *1 2.105 K *1 2.030 L 0.996 J(A,C)=17.1HZ J(A,D)=10.1HZ J(B,E)=17.3HZ J(B,F)=10.5HZ
Hz ppm Int.2324.34 5.816 55 2317.50 5.799 79 2317.14 5.798 83 2313.84 5.790 156 2310.30 5.781 66 2306.88 5.773 202 2303.47 5.764 128 2300.17 5.756 148 2296.51 5.747 246 2293.21 5.739 77 2289.67 5.730 195 2286.25 5.721 138 2283.08 5.713 78 2279.17 5.703 131 2010.74 5.032 77 2009.16 5.028 145 2008.54 5.026 136 2007.69 5.024 122 2006.96 5.022 201 2005.49 5.019 114 1999.63 5.004 118 1998.54 5.001 200 1997.44 4.998 180 1996.22 4.995 173 1995.73 4.994 201 1994.38 4.991 217 1993.90 4.990 256 1992.55 4.986 231 1991.46 4.984 159 1989.99 4.980 242 1989.38 4.978 188 1988.28 4.976 270 1987.06 4.973 185 1985.96 4.970 114 1984.86 4.967 66 1978.39 4.951 139 1976.56 4.946 345 1975.34 4.943 318 1974.73 4.942 243 1973.63 4.939 187 1966.19 4.920 178 1965.09 4.918 196 1964.36 4.916 175 1963.26 4.913 156 899.90 2.252 35 894.17 2.238 56 893.07 2.235 89 891.97 2.232 58 887.33 2.221 80 886.35 2.218 126 885.25 2.216 82 880.62 2.204 69 879.52 2.201 107 878.42 2.198 70 873.90 2.187 35 872.68 2.184 53 871.58 2.181 34 857.18 2.145 44 855.96 2.142 30 851.81 2.132 43 850.59 2.129 67 849.24 2.125 45 844.85 2.114 68 843.51 2.111 106 842.16 2.108 71 838.01 2.097 95 836.67 2.094 148 835.33 2.091 100 831.30 2.081 47 829.96 2.077 73 828.61 2.074 48 823.61 2.061 59 822.27 2.058 87 821.17 2.055 63 816.28 2.043 89 815.19 2.040 140 814.21 2.038 91 809.33 2.026 66 808.23 2.023 101 807.01 2.020 66 802.49 2.008 42 801.39 2.006 65 794.31 1.988 35 401.61 1.005 1000 394.90 0.989 977
in CDCl3
liquid film
