1-Hexene(592-41-6) 1H NMR
Molecular FormulaC6H12
Molecular Weight84.16
InChIInChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3
InChIKey LIKMAJRDDDTEIG-UHFFFAOYSA-N
SmilesC=CCCCC
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MassMS-NW-9192 1-hexene C6H12 (Mass of molecular ion: 84)
Source Temperature: 250 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 2.1 27.0 32.2 28.0 6.8 29.0 18.6 38.0 2.4 39.0 30.9 40.0 6.1 41.0 95.1 42.0 72.2 43.0 58.8 44.0 2.0 50.0 2.0 51.0 2.9 52.0 1.2 53.0 6.8 54.0 5.2 55.0 64.2 56.0 100.0 57.0 6.1 67.0 2.1 69.0 24.0 70.0 1.4 84.0 29.2 85.0 2.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H12 0.02 ml : 0.5 ml CDCl3 1-hexene 
Assign. Shift(ppm)
A 5.80 B 4.96 C 4.92 D 2.06 E 1.50 to 1.07 F 0.90
Hz ppm Int.542.19 6.054 80 535.63 5.981 156 532.19 5.943 87 529.25 5.910 82 525.75 5.871 204 525.06 5.863 138 519.19 5.798 131 518.44 5.789 235 515.13 5.752 144 511.94 5.717 130 508.56 5.679 283 502.13 5.607 154 457.69 5.111 120 456.25 5.095 271 455.31 5.084 274 454.75 5.078 209 453.88 5.068 446 452.38 5.052 222 448.13 5.004 212 446.94 4.991 384 445.75 4.978 293 444.56 4.964 202 443.38 4.951 102 440.50 4.919 80 439.00 4.902 171 438.25 4.894 286 437.00 4.880 505 435.75 4.866 311 435.25 4.860 239 434.69 4.854 148 187.25 2.091 265 180.56 2.017 282 129.88 1.451 213 122.63 1.370 687 119.31 1.333 508 115.19 1.287 578 87.00 0.972 371 80.50 0.899 1000 76.19 0.851 211
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
