1,5-HEXADIENE(592-42-7) MS
Product Name1,5-HEXADIENE
CAS592-42-7
Molecular FormulaC6H10
Molecular Weight82.14
InChIInChI=1S/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2
InChIKey PYGSKMBEVAICCR-UHFFFAOYSA-N
SmilesC=CCCC=C
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MassMS-NW-1213 1,5-hexadiene C6H10 (Mass of molecular ion: 82)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.7 18.0 1.0 26.0 2.9 27.0 17.7 28.0 3.4 29.0 5.1 37.0 1.5 38.0 3.8 39.0 52.0 40.0 5.6 41.0 99.9 42.0 5.8 50.0 3.4 51.0 4.6 52.0 2.3 53.0 9.5 54.0 58.8 55.0 5.7 65.0 3.4 66.0 1.7 67.0 100.0 68.0 5.6 77.0 2.1 79.0 3.2 81.0 7.9 82.0 1.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H10 0.04 ml : 0.5 ml CDCl3 1,5-hexadiene 
Assign. Shift(ppm)
A 5.809 B 4.99 C 4.95 D 2.151
Hz ppm Int.542.38 6.057 69 540.25 6.033 40 538.81 6.017 40 536.13 5.987 214 535.19 5.976 52 534.19 5.965 63 532.31 5.944 100 530.00 5.918 114 528.63 5.903 78 527.50 5.890 68 526.25 5.876 254 525.25 5.865 155 524.00 5.851 112 522.81 5.838 109 521.38 5.822 95 520.19 5.809 139 518.94 5.795 338 517.75 5.782 84 516.69 5.770 103 515.19 5.753 184 512.75 5.726 164 511.38 5.710 120 510.38 5.699 79 509.00 5.684 421 506.69 5.658 82 505.13 5.641 79 502.94 5.616 142 502.13 5.607 40 459.00 5.126 411 458.19 5.117 433 457.50 5.109 452 456.75 5.100 810 455.31 5.084 295 453.25 5.061 45 450.44 5.030 801 449.31 5.017 426 448.19 5.005 444 445.00 4.969 35 444.63 4.965 35 443.19 4.949 94 441.75 4.933 364 440.50 4.919 921 439.56 4.908 971 438.25 4.894 485 198.50 2.217 91 196.44 2.194 715 195.81 2.187 966 194.50 2.172 533 192.56 2.151 796 190.94 2.132 524 190.25 2.125 908 189.69 2.119 1000 189.00 2.111 749 186.94 2.088 141
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
