3,3-DIMETHYL-1-HEXENE(3404-77-1) 13C NMR
Product Name3,3-DIMETHYL-1-HEXENE
CAS3404-77-1
Molecular FormulaC8H16
Molecular Weight112.21
InChIInChI=1S/C8H16/c1-5-7-8(3,4)6-2/h6H,2,5,7H2,1,3-4H3
InChIKey RXYYKIMRVXDSFR-UHFFFAOYSA-N
SmilesC=CC(C)(C)CCC
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MassMS-IW-6600 3,3-dimethyl-1-hexene C8H16 (Mass of molecular ion: 112)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 7.9 28.0 1.5 29.0 5.6 39.0 9.1 40.0 1.7 41.0 55.8 42.0 5.8 43.0 10.9 51.0 1.3 53.0 5.0 54.0 1.0 55.0 56.1 56.0 23.2 57.0 9.4 67.0 5.3 68.0 6.4 69.0 100.0 70.0 37.2 71.0 2.2 83.0 13.0 84.0 7.8 85.0 2.1 97.0 8.6 112.0 7.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H16 0.05 ml : 0.5 ml CDCl3 3,3-dimethyl-1-hexene 
Assign. Shift(ppm)
A 5.760 B 4.884 C 4.882 D 1.24 E 0.968 F 0.87
Hz ppm Int.2316.77 5.797 118 2306.40 5.772 103 2302.49 5.762 32 2298.95 5.753 114 2288.57 5.727 140 1960.82 4.907 67 1959.23 4.903 176 1957.40 4.898 211 1955.81 4.894 92 1947.02 4.872 98 1945.43 4.868 171 1942.87 4.862 143 1941.41 4.858 95 498.41 1.248 113 494.75 1.238 418 492.68 1.233 151 491.94 1.231 168 490.48 1.228 169 489.99 1.227 169 487.06 1.219 56 485.60 1.216 50 483.76 1.211 41 482.18 1.207 34 386.96 0.969 1000 354.49 0.888 110 353.39 0.885 84 351.93 0.881 96 349.85 0.876 79 349.12 0.874 87 347.53 0.870 276 345.95 0.866 123 345.09 0.864 158 342.90 0.859 79 341.80 0.856 80 340.45 0.852 106
in CDCl3
liquid film
