2-METHYL-1,5-HEXADIENE(4049-81-4) 1H NMR
Product Name2-METHYL-1,5-HEXADIENE
CAS4049-81-4
Molecular FormulaC7H12
Molecular Weight96.17
InChIInChI=1S/C7H12/c1-4-5-6-7(2)3/h4H,1-2,5-6H2,3H3
InChIKey SLQMKNPIYMOEGB-UHFFFAOYSA-N
SmilesC=C(C)CCC=C
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MassMS-NW-3223 2-methyl-1,5-hexadiene C7H12 (Mass of molecular ion: 96)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.1 26.0 1.7 27.0 19.3 29.0 28.6 38.0 2.6 39.0 35.9 40.0 5.5 41.0 30.8 42.0 2.5 50.0 2.5 51.0 4.4 52.0 2.0 53.0 19.1 54.0 22.7 55.0 80.8 56.0 6.4 57.0 2.0 65.0 2.4 66.0 2.4 67.0 23.6 68.0 22.8 69.0 1.8 77.0 3.0 79.0 8.6 80.0 1.3 81.0 100.0 82.0 6.7 95.0 4.9 96.0 5.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H12 0.04 ml : 0.5 ml CDCl3 2-methyl-1,5-hexadiene 
Assign. Shift(ppm)
A 5.80 B 5.01 C 4.95 D *1 4.71 E *1 4.69 F 2.26 to 2.05 G 1.721
Hz ppm Int.535.75 5.983 72 532.06 5.941 33 525.88 5.872 89 524.75 5.860 50 521.19 5.820 46 519.75 5.804 43 518.50 5.790 117 514.94 5.750 48 513.69 5.736 41 512.31 5.721 51 511.19 5.708 30 508.63 5.680 131 503.75 5.625 31 503.38 5.621 31 502.50 5.611 53 460.13 5.138 54 458.75 5.123 129 457.88 5.113 137 457.25 5.106 89 456.50 5.098 228 455.13 5.082 92 450.13 5.027 112 449.00 5.014 212 447.88 5.001 151 446.75 4.989 126 445.75 4.978 60 442.88 4.946 32 442.44 4.941 35 441.50 4.930 70 440.25 4.916 136 439.19 4.904 265 437.94 4.890 163 436.88 4.879 105 435.75 4.866 43 424.81 4.744 80 424.06 4.735 111 422.63 4.719 249 421.88 4.711 294 421.19 4.703 388 419.94 4.689 336 419.06 4.680 213 417.81 4.666 103 416.81 4.654 49 206.94 2.311 37 202.94 2.266 41 201.44 2.250 75 199.81 2.232 102 198.56 2.218 103 197.13 2.202 123 195.94 2.188 189 195.13 2.179 201 193.50 2.161 218 192.31 2.148 425 191.06 2.134 607 180.63 2.017 32 155.38 1.735 694 154.44 1.725 1000 154.06 1.721 915 153.06 1.710 691
in CDCl3
liquid film
