VINYLCYCLOHEXANE(695-12-5) MS
Product NameVINYLCYCLOHEXANE
CAS695-12-5
Molecular FormulaC8H14
Molecular Weight110.2
InChIInChI=1S/C8H14/c1-2-8-6-4-3-5-7-8/h2,8H,1,3-7H2
InChIKey LDLDYFCCDKENPD-UHFFFAOYSA-N
SmilesC1(C=C)CCCCC1
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MassMS-IW-9465 vinylcyclohexane C8H14 (Mass of molecular ion: 110)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 1.1 27.0 14.7 28.0 3.4 29.0 7.5 38.0 1.1 39.0 24.4 40.0 4.5 41.0 45.0 42.0 3.7 43.0 2.4 50.0 1.6 51.0 3.8 52.0 2.3 53.0 11.7 54.0 40.0 55.0 17.9 56.0 3.1 65.0 3.8 66.0 4.1 67.0 75.1 68.0 24.7 69.0 14.0 70.0 1.8 77.0 3.0 79.0 7.4 80.0 6.1 81.0 100.0 82.0 35.0 83.0 3.1 91.0 1.3 93.0 1.2 95.0 17.3 96.0 1.6 109.0 1.6 110.0 16.0 111.0 1.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H14 0.05 ml : 0.5 ml CDCl3 vinylcyclohexane 
Assign. Shift(ppm)
A 5.773 B 4.948 C 4.873 D 1.95 E 1.72 F 1.65 G 1.26 J 1.167 K 1.07
Hz ppm Int.2325.20 5.819 329 2318.73 5.802 342 2314.70 5.792 351 2308.11 5.776 617 2301.39 5.759 381 2297.49 5.749 387 2290.89 5.733 389 1987.30 4.973 653 1985.84 4.969 793 1985.35 4.968 815 1983.89 4.965 720 1969.97 4.930 595 1968.51 4.926 722 1968.02 4.925 737 1966.55 4.921 653 1954.10 4.890 650 1952.88 4.887 714 1952.15 4.885 650 1950.93 4.882 588 1943.60 4.864 613 1942.38 4.861 672 1941.65 4.859 614 1940.43 4.856 556 782.23 1.958 183 780.88 1.954 202 777.59 1.946 187 774.29 1.938 203 772.95 1.935 188 695.68 1.741 984 685.06 1.715 1000 684.20 1.712 921 682.62 1.709 985 668.58 1.673 242 666.99 1.669 257 665.41 1.665 292 663.70 1.661 231 658.33 1.648 211 656.49 1.643 235 655.27 1.640 237 654.79 1.639 231 653.20 1.635 287 651.37 1.630 232 527.59 1.321 142 519.41 1.300 202 515.01 1.289 422 512.70 1.283 255 511.84 1.281 274 505.49 1.265 407 502.44 1.258 573 499.63 1.251 309 493.04 1.234 240 490.23 1.227 322 487.79 1.221 208 480.35 1.202 180 478.27 1.197 272 475.46 1.190 152 469.48 1.175 218 466.43 1.168 390 463.26 1.160 211 457.40 1.145 141 454.10 1.137 302 451.90 1.131 153 450.81 1.129 192 448.12 1.122 260 445.56 1.115 288 441.77 1.106 145 433.59 1.085 533 424.44 1.063 467 420.04 1.052 227 412.48 1.033 162
in CDCl3
liquid film
