1-Phenyl-1-cyclohexene(771-98-2) Raman
Product Name1-Phenyl-1-cyclohexene
CAS771-98-2
Molecular FormulaC12H14
Molecular Weight158.24
InChIInChI=1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-9H,2,5-6,10H2
InChIKey WCMSFBRREKZZFL-UHFFFAOYSA-N
SmilesC1(C2CCCCC=2)=CC=CC=C1
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MassMS-IW-9461 (1-cyclohexenyl)benzene C12H14 (Mass of molecular ion: 158)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 7.0 28.0 1.1 29.0 1.9 39.0 12.7 40.0 1.0 41.0 5.3 50.0 5.1 51.0 16.4 52.0 4.7 53.0 4.0 55.0 1.1 57.5 2.2 62.0 2.3 63.0 9.4 64.0 6.9 64.5 1.1 65.0 10.4 66.0 3.6 67.0 13.3 70.0 1.5 70.5 4.6 71.0 1.8 71.5 2.5 74.0 2.8 75.0 3.7 76.0 8.5 76.5 1.0 77.0 20.8 78.0 8.6 79.0 11.5 80.0 13.3 81.0 2.9 87.0 1.5 89.0 5.3 91.0 40.0 92.0 4.3 101.0 1.3 102.0 9.5 103.0 6.9 104.0 18.8 105.0 3.5 114.0 1.1 115.0 60.3 116.0 11.6 117.0 22.8 118.0 3.0 126.0 1.8 127.0 11.5 128.0 36.8 129.0 94.4 130.0 86.2 131.0 9.8 139.0 1.5 141.0 8.7 142.0 6.1 143.0 58.5 144.0 7.7 145.0 3.8 151.0 1.5 152.0 4.8 153.0 5.6 154.0 9.8 155.0 3.8 156.0 2.8 157.0 12.7 158.0 100.0 159.0 13.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H14 0.05 ml : 0.5 ml CDCl3 (1-cyclohexenyl)benzene 
Assign. Shift(ppm)
A 7.351 B 7.264 C 7.176 D 6.095 E 2.38 F 2.18 G 1.75 J 1.64
Hz ppm Int.2949.10 7.380 51 2947.39 7.375 72 2943.60 7.366 572 2942.14 7.362 759 2940.19 7.357 277 2935.06 7.345 921 2934.08 7.342 912 2910.89 7.284 604 2909.06 7.280 252 2907.10 7.275 110 2903.56 7.266 1000 2902.22 7.262 515 2897.34 7.250 287 2895.75 7.246 546 2893.92 7.242 127 2875.00 7.194 230 2873.66 7.191 386 2872.44 7.188 225 2870.36 7.183 42 2868.53 7.178 169 2866.46 7.173 472 2864.38 7.168 149 2860.47 7.158 110 2859.13 7.155 180 2857.91 7.152 102 2441.77 6.110 153 2440.06 6.106 274 2437.87 6.101 331 2436.04 6.096 504 2434.33 6.092 330 2432.01 6.086 262 2430.42 6.082 144 961.67 2.407 133 959.11 2.400 293 957.28 2.396 315 955.44 2.391 330 953.00 2.385 533 951.17 2.381 533 948.85 2.375 344 946.78 2.370 318 945.07 2.365 303 942.50 2.359 152 880.98 2.205 138 878.42 2.198 233 876.83 2.194 196 874.63 2.189 423 872.19 2.183 504 870.73 2.179 355 868.29 2.173 508 865.84 2.167 378 862.06 2.158 228 859.62 2.151 103 712.04 1.782 191 708.86 1.774 166 706.05 1.767 430 702.88 1.759 358 700.44 1.753 594 696.90 1.744 362 694.46 1.738 564 690.67 1.729 162 688.23 1.723 244 664.18 1.662 267 661.74 1.656 184 658.08 1.647 635 655.64 1.641 367 652.10 1.632 567 649.66 1.626 338 646.48 1.618 376 643.55 1.611 136 640.50 1.603 131
in CDCl3
liquid film
