1,4-HEXADIENE(7319-00-8) MS
Product Name1,4-HEXADIENE
CAS7319-00-8
Molecular FormulaC6H10
Molecular Weight82.14
InChIInChI=1S/C6H10/c1-3-5-6-4-2/h3-4,6H,1,5H2,2H3/b6-4+
InChIKey PRBHEGAFLDMLAL-GQCTYLIASA-N
SmilesC=CC/C=C/C
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MassMS-IW-3676 trans-1,4-hexadiene C6H10 (Mass of molecular ion: 82)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
26.0 2.6 27.0 18.8 28.0 3.8 29.0 7.3 37.0 1.7 38.0 4.2 39.0 42.9 40.0 7.2 41.0 55.5 42.0 7.8 43.0 1.3 50.0 6.1 51.0 8.6 52.0 4.3 53.0 22.9 54.0 25.6 55.0 13.2 56.0 1.8 63.0 1.8 65.0 13.8 66.0 4.3 67.0 100.0 68.0 7.7 74.0 1.0 77.0 5.3 78.0 1.1 79.0 11.5 80.0 2.1 81.0 16.0 82.0 62.5 83.0 4.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H10 0.05 ml : 0.5 ml CDCl3 trans-1,4-hexadiene 
Assign. Shift(ppm)
A 5.807 B 5.45 C 5.44 D 5.01 E 4.97 F 2.722 G 1.660 J(A,D)=17.1HZ J(A,E)=10.1HZ J(A,F)=6.5HZ ASSIGNED BY H-H COSY.
Hz ppm Int.2341.80 5.860 110 2335.33 5.844 218 2331.67 5.835 123 2328.86 5.828 116 2325.20 5.819 260 2318.24 5.801 284 2314.58 5.792 139 2311.77 5.785 131 2308.11 5.776 262 2301.64 5.760 131 2200.81 5.507 41 2195.56 5.494 66 2186.40 5.471 71 2185.55 5.469 134 2180.42 5.456 560 2178.10 5.451 316 2175.78 5.445 809 2173.71 5.440 282 2171.02 5.433 350 2168.21 5.426 51 2166.14 5.421 35 2160.89 5.407 64 2155.64 5.394 52 2014.40 5.041 133 2012.70 5.037 308 2010.74 5.032 370 2009.03 5.027 185 1997.19 4.998 123 1995.48 4.994 277 1993.53 4.989 343 1991.94 4.985 304 1990.72 4.982 352 1989.38 4.978 263 1988.77 4.977 323 1987.43 4.973 173 1981.93 4.960 162 1980.59 4.956 316 1979.25 4.953 242 1978.64 4.951 302 1977.29 4.948 162 1096.19 2.743 121 1094.85 2.740 200 1093.26 2.736 214 1091.92 2.733 225 1090.70 2.730 306 1089.60 2.727 380 1088.26 2.724 405 1086.91 2.720 332 1085.57 2.717 264 1084.35 2.714 304 1083.13 2.711 317 1081.79 2.707 246 1080.57 2.704 141 671.02 1.680 38 667.72 1.671 484 666.38 1.668 918 665.53 1.666 864 665.16 1.665 861 664.06 1.662 556 662.96 1.659 646 661.62 1.656 1000 660.28 1.653 678
in CDCl3
liquid film
