ALLYLCYCLOHEXANE(2114-42-3) MS
Product NameALLYLCYCLOHEXANE
CAS2114-42-3
Molecular FormulaC9H16
Molecular Weight124.22
InChIInChI=1S/C9H16/c1-2-6-9-7-4-3-5-8-9/h2,9H,1,3-8H2
InChIKey KVOZXXSUSRZIKD-UHFFFAOYSA-N
SmilesC1(CC=C)CCCCC1
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MassMS-NW-6804 allylcyclohexane C9H16 (Mass of molecular ion: 124)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 8.8 28.0 1.0 29.0 7.1 39.0 14.4 40.0 2.1 41.0 42.4 42.0 2.3 43.0 3.7 51.0 1.9 52.0 1.1 53.0 6.1 54.0 7.6 55.0 100.0 56.0 5.2 65.0 1.8 66.0 2.2 67.0 22.0 68.0 4.8 69.0 1.8 77.0 1.8 79.0 3.0 80.0 2.1 81.0 10.6 82.0 62.9 83.0 98.3 84.0 6.5 95.0 2.1 96.0 7.0 124.0 6.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H16 0.05 ml : 0.5 ml CDCl3 allylcyclohexane 
Assign. Shift(ppm)
A 5.778 B 4.96 C 4.95 D 1.941 E 1.73 to 1.660 F 1.64 G 1.30 J 1.21 K 1.15 L 0.895
Hz ppm Int.2330.20 5.831 151 2323.12 5.813 302 2319.95 5.805 161 2315.92 5.795 180 2312.74 5.787 362 2306.15 5.771 390 2303.10 5.763 203 2298.95 5.753 180 2295.90 5.745 355 2288.70 5.727 179 1995.24 4.993 198 1993.77 4.989 371 1992.92 4.987 384 1992.43 4.986 359 1991.46 4.984 580 1989.99 4.980 341 1984.99 4.967 307 1983.89 4.965 564 1982.67 4.962 497 1981.57 4.959 414 1980.47 4.956 263 1978.39 4.951 168 1976.93 4.947 256 1976.07 4.945 404 1974.61 4.941 913 1973.51 4.939 872 1972.41 4.936 658 1971.19 4.933 328 1970.09 4.930 170 782.71 1.959 550 781.62 1.956 412 775.76 1.942 1000 770.02 1.927 373 768.80 1.924 600 767.70 1.921 438 688.72 1.724 469 686.89 1.719 512 685.30 1.715 568 683.84 1.712 489 682.25 1.708 575 678.59 1.698 710 677.25 1.695 685 675.54 1.691 715 674.19 1.687 706 669.19 1.675 556 665.28 1.665 422 663.57 1.661 343 662.48 1.658 349 660.52 1.653 307 659.18 1.650 240 657.47 1.646 204 656.01 1.642 178 655.52 1.641 181 653.20 1.635 189 651.98 1.632 209 650.15 1.627 234 648.80 1.624 226 647.22 1.620 184 645.75 1.616 168 540.16 1.352 37 536.99 1.344 64 533.57 1.336 90 530.15 1.327 126 529.17 1.325 116 525.76 1.316 161 522.34 1.307 205 518.92 1.299 251 515.63 1.291 201 511.11 1.279 211 507.57 1.271 236 504.27 1.262 177 500.98 1.254 141 497.19 1.245 245 495.24 1.240 260 493.90 1.236 307 491.09 1.229 227 484.38 1.213 360 481.32 1.205 469 472.17 1.182 340 469.36 1.175 521 461.67 1.156 195 459.11 1.149 302 456.30 1.142 204 452.51 1.133 62 449.71 1.126 102 446.78 1.118 216 443.73 1.111 129 437.74 1.096 48 434.57 1.088 77 431.27 1.080 49 375.61 0.940 189 372.68 0.933 220 363.53 0.910 357 360.60 0.903 460 349.73 0.876 364 339.72 0.851 131 335.69 0.840 110
in CDCl3
liquid film
