Cyclohexene oxide(286-20-4) Raman
Product NameCyclohexene oxide
CAS286-20-4
Molecular FormulaC6H10O
Molecular Weight98.14
InChIInChI=1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2
InChIKey ZWAJLVLEBYIOTI-UHFFFAOYSA-N
SmilesC12C(O1)CCCC2
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MassMS-NW-0833 1,2-epoxycyclohexane C6H10O (Mass of molecular ion: 98)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 3.1 18.0 1.7 26.0 4.6 27.0 33.2 28.0 8.1 29.0 17.9 31.0 3.0 37.0 1.9 38.0 4.8 39.0 49.1 40.0 10.3 41.0 87.6 42.0 79.2 43.0 19.4 44.0 19.1 50.0 3.5 51.0 4.8 52.0 2.2 53.0 10.4 54.0 58.4 55.0 32.6 56.0 16.7 57.0 41.2 58.0 1.9 65.0 2.3 67.0 10.1 68.0 12.3 69.0 26.0 70.0 27.0 71.0 3.7 77.0 4.4 78.0 1.8 79.0 12.3 80.0 8.5 81.0 1.8 82.0 1.1 83.0 100.0 84.0 5.7 97.0 15.4 98.0 16.1 99.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H10 O 0.05 ml : 0.5 ml CDCl3 1,2-epoxycyclohexane 
Assign. Shift(ppm)
A 3.109 B *1 1.937 C *1 1.817 D *2 1.419 E *2 1.234 ASSIGNED BY C-H COSY.
Hz ppm Int.1245.12 3.116 594 1244.14 3.114 995 1243.04 3.111 997 1241.82 3.108 1000 1240.72 3.105 961 1239.75 3.103 561 1231.93 3.083 32 1230.83 3.080 33 794.43 1.988 33 789.92 1.977 170 783.81 1.962 238 782.96 1.960 255 776.73 1.944 254 775.88 1.942 283 774.90 1.939 317 772.09 1.932 140 767.82 1.922 445 767.21 1.920 427 761.72 1.906 321 743.16 1.860 37 740.11 1.852 172 739.26 1.850 184 737.67 1.846 197 736.94 1.844 224 733.89 1.837 351 732.79 1.834 354 731.45 1.831 384 730.59 1.829 330 729.61 1.826 227 727.29 1.820 262 726.44 1.818 244 724.37 1.813 281 721.80 1.807 167 718.75 1.799 205 717.77 1.796 223 716.31 1.793 220 715.45 1.791 207 714.48 1.788 145 713.38 1.786 117 712.40 1.783 149 711.55 1.781 146 710.21 1.778 128 709.11 1.775 129 706.30 1.768 37 587.65 1.471 99 585.69 1.466 79 580.93 1.454 130 578.86 1.449 197 576.90 1.444 183 576.05 1.442 197 574.58 1.438 173 572.51 1.433 350 570.68 1.428 247 569.46 1.425 195 568.12 1.422 271 566.04 1.417 416 564.09 1.412 188 561.77 1.406 262 559.94 1.402 323 558.72 1.399 344 557.25 1.395 133 556.27 1.392 110 555.18 1.390 110 554.32 1.388 139 553.34 1.385 170 552.49 1.383 166 551.03 1.379 137 548.10 1.372 45 514.04 1.287 30 510.99 1.279 128 509.40 1.275 142 508.67 1.273 171 507.45 1.270 117 506.84 1.269 111 504.64 1.263 107 502.93 1.259 335 501.34 1.255 280 500.24 1.252 244 499.27 1.250 193 498.17 1.247 191 495.73 1.241 424 493.29 1.235 266 490.23 1.227 267 489.26 1.225 303 486.82 1.219 175 486.08 1.217 186 485.23 1.215 192 484.25 1.212 171 482.42 1.208 212 480.96 1.204 157 479.49 1.200 106 478.76 1.198 103 475.83 1.191 84 474.73 1.188 63 473.51 1.185 101
in CDCl3
liquid film
4880 A,200 M,liquid
