2-ETHYL-1-HEXENE(1632-16-2) MS
Product Name2-ETHYL-1-HEXENE
CAS1632-16-2
Molecular FormulaC8H16
Molecular Weight112.21
InChIInChI=1S/C8H16/c1-4-6-7-8(3)5-2/h3-7H2,1-2H3
InChIKey XTVRLCUJHGUXCP-UHFFFAOYSA-N
SmilesCCC(=C)CCCC
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MassMS-NW-4271 2-ethyl-1-hexene C8H16 (Mass of molecular ion: 112)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 15.1 28.0 1.8 29.0 13.2 39.0 12.8 40.0 2.7 41.0 47.5 42.0 26.5 43.0 12.7 51.0 1.5 53.0 5.5 54.0 4.0 55.0 91.5 56.0 11.5 57.0 2.8 67.0 4.1 68.0 1.0 69.0 8.3 70.0 100.0 71.0 8.3 83.0 7.3 84.0 2.3 112.0 11.7 113.0 1.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H16 0.04 ml : 0.5 ml CDCl3 2-ethyl-1-hexene 
Assign. Shift(ppm)
A 4.69 B 2.20 to 1.85 C 1.63 to 1.15 D 1.02 E 0.92
Hz ppm Int.422.13 4.714 152 421.00 4.701 432 419.94 4.689 615 418.81 4.677 407 417.88 4.666 158 184.81 2.064 250 181.31 2.025 170 181.00 2.021 167 180.13 2.012 159 178.44 1.993 243 177.56 1.983 269 177.25 1.980 268 174.69 1.951 136 171.81 1.919 78 170.56 1.905 101 131.00 1.463 95 129.44 1.446 89 128.38 1.434 129 127.88 1.428 130 127.44 1.423 131 127.00 1.419 134 123.50 1.379 288 121.81 1.361 166 120.19 1.343 205 119.81 1.338 208 119.00 1.329 155 117.75 1.315 160 116.19 1.298 206 115.31 1.288 106 114.19 1.276 114 111.88 1.250 83 98.69 1.102 445 91.56 1.023 1000 89.31 0.998 110 87.50 0.977 224 83.88 0.937 392 81.13 0.906 495 78.44 0.876 128 76.50 0.855 82 75.63 0.845 82
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
