3-環(huán)己烯-1-腈(100-45-8)紅外圖譜(IR1)
InChI:InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-2,7H,3-5H2
InChIKey: GYBNBQFUPDFFQX-UHFFFAOYSA-N
Smiles:C1(C#N)CCC=CC1
400 MHz in CDCl3
90 MHz in CDCl3
-
| 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
-
| 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