4-CYANO-1-CYCLOHEXENE(100-45-8) IR1
Product Name4-CYANO-1-CYCLOHEXENE
CAS100-45-8
Molecular FormulaC7H9N
Molecular Weight107.15
InChIInChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-2,7H,3-5H2
InChIKey GYBNBQFUPDFFQX-UHFFFAOYSA-N
SmilesC1(C#N)CCC=CC1
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C7 H9 N 0.05 ml : 0.5 ml CDCl3 3-cyclohexene-1-carbonitrile 
Assign. Shift(ppm)
A *1 5.751 B *1 5.638 C 2.836 D 2.39 E 2.31 F 2.22 G 2.11 J 1.976 K 1.882
Hz ppm Int.2308.23 5.776 401 2306.52 5.772 484 2304.57 5.767 631 2302.73 5.762 485 2300.90 5.758 445 2300.29 5.756 409 2298.10 5.751 623 2296.26 5.746 723 2294.43 5.742 903 2292.60 5.737 759 2290.77 5.732 610 2261.47 5.659 698 2259.64 5.655 745 2257.81 5.650 960 2256.10 5.646 720 2254.15 5.641 693 2252.08 5.636 454 2251.34 5.634 506 2249.39 5.629 495 2247.68 5.625 659 2245.85 5.620 497 2244.02 5.615 470 1146.61 2.870 397 1143.31 2.861 442 1140.99 2.855 529 1139.28 2.851 575 1137.82 2.848 903 1136.11 2.843 601 1134.52 2.839 603 1133.67 2.837 643 1132.20 2.833 616 1130.49 2.829 1000 1129.03 2.826 610 1127.32 2.821 579 1124.88 2.815 560 1121.70 2.807 531 954.35 2.388 374 953.74 2.387 373 951.17 2.381 550 950.44 2.379 602 948.61 2.374 660 948.12 2.373 656 946.66 2.369 558 945.43 2.366 570 944.21 2.363 445 943.12 2.360 355 942.14 2.358 363 933.23 2.336 432 930.54 2.329 571 930.18 2.328 575 928.10 2.323 522 927.37 2.321 511 925.90 2.317 481 925.29 2.316 511 923.22 2.311 532 922.85 2.310 534 920.65 2.304 404 920.17 2.303 414 907.10 2.270 404 904.91 2.265 518 902.71 2.259 461 901.12 2.255 337 898.93 2.250 328 888.92 2.225 422 886.72 2.219 631 884.52 2.214 570 882.93 2.210 593 880.74 2.204 663 878.54 2.199 425 852.91 2.135 458 850.22 2.128 470 848.02 2.122 474 847.66 2.122 478 845.46 2.116 496 842.77 2.109 434 839.84 2.102 335 799.56 2.001 379 796.26 1.993 417 792.85 1.984 505 792.11 1.983 511 789.67 1.976 522 788.82 1.974 491 786.50 1.968 759 783.20 1.960 726 780.76 1.954 399 780.40 1.953 401 777.10 1.945 349 767.46 1.921 540 761.35 1.906 551 760.01 1.902 558 759.64 1.901 557 758.79 1.899 580 754.03 1.887 729 752.93 1.884 587 751.34 1.880 500 746.58 1.869 364 745.48 1.866 619 745.12 1.865 620
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1H NMR 89.56 MHz C7 H9 N 0.04 ml : 0.5 ml CDCl3 3-cyclohexene-1-carbonitrile Assign. Shift(ppm)
A *1 5.70 B *1 5.59 C 2.77 D 2.34 E 2.25 F 2.19 G 2.05 J 1.93 K 1.84
Hz ppm Int.513.81 5.738 399 512.25 5.720 522 511.50 5.712 521 510.00 5.695 1000 508.75 5.681 555 507.88 5.671 720 506.69 5.658 476 504.81 5.637 289 258.44 2.886 263 253.69 2.833 197 252.63 2.821 305 250.88 2.802 248 248.06 2.770 192 246.56 2.754 228 245.25 2.739 256 215.69 2.409 347 214.75 2.398 494 212.75 2.376 592 212.13 2.369 648 210.81 2.354 587 209.88 2.344 465 209.44 2.339 469 206.25 2.303 494 205.19 2.292 476 203.25 2.270 309 202.56 2.262 349 200.88 2.243 293 200.13 2.235 251 199.81 2.232 250 198.50 2.217 255 197.19 2.202 396 196.00 2.189 381 195.50 2.183 393 194.25 2.169 390 193.75 2.164 407 192.38 2.149 433 190.69 2.130 520 190.25 2.125 533 189.69 2.119 490 186.81 2.086 400 185.56 2.072 335 184.25 2.058 220 181.88 2.031 218 181.13 2.023 280 179.81 2.008 454 176.31 1.969 681 175.88 1.964 684 173.13 1.934 664 171.50 1.915 468 166.75 1.862 357 166.31 1.857 351
CCl4 solution
liquid film
