TRANS-1,2-DICHLOROCYCLOHEXANE(822-86-6) 13C NMR
Product NameTRANS-1,2-DICHLOROCYCLOHEXANE
CAS822-86-6
Molecular FormulaC6H10Cl2
Molecular Weight153.05
InChIInChI=1/C6H10Cl2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4H2/t5-,6-/s3
InChIKey GZEZIBFVJYNETN-FJGCHTOXNA-N
Smiles[C@@H]1(Cl)CCCC[C@H]1Cl |&1:0,6,r|
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MassMS-IW-0074 trans-1,2-dichlorocyclohexane C6H10Cl2 (Mass of molecular ion: 152)
Source Temperature: 250 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 5.5 28.0 1.1 29.0 1.1 38.0 1.1 39.0 9.0 40.0 1.3 41.0 13.1 42.0 1.5 49.0 1.2 50.0 1.5 51.0 3.5 52.0 1.3 53.0 6.9 54.0 7.2 55.0 10.8 56.0 1.1 62.0 3.2 63.0 1.0 64.0 1.0 65.0 1.7 67.0 7.1 75.0 8.1 76.0 1.2 77.0 5.1 78.0 1.0 79.0 11.2 80.0 53.0 81.0 100.0 82.0 7.0 88.0 3.5 89.0 1.3 90.0 3.2 116.0 5.0 117.0 1.0 118.0 1.6 152.0 1.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H10 Cl2 0.05 ml : 0.5 ml CDCl3 trans-1,2-dichlorocyclohexane 
Assign. Shift(ppm)
A 4.013 B 2.320 C *1 1.77 D *1 1.73 E 1.419
Hz ppm Int.1631.10 4.082 34 1627.20 4.072 42 1614.62 4.041 221 1607.54 4.023 836 1603.88 4.014 843 1600.59 4.005 795 954.22 2.388 34 948.24 2.373 58 945.43 2.366 103 941.16 2.355 256 938.72 2.349 478 937.62 2.347 411 936.28 2.343 475 935.30 2.341 521 933.96 2.337 499 932.86 2.335 589 930.66 2.329 570 929.32 2.326 438 928.22 2.323 429 927.25 2.321 464 926.03 2.318 459 924.80 2.315 594 923.83 2.312 445 922.61 2.309 521 921.39 2.306 523 919.80 2.302 478 918.95 2.300 484 916.99 2.295 458 915.77 2.292 401 913.33 2.286 265 732.30 1.833 52 731.08 1.830 44 728.64 1.824 65 727.91 1.822 67 724.24 1.813 137 722.17 1.808 205 720.46 1.803 211 718.75 1.799 231 717.53 1.796 351 716.31 1.793 411 715.45 1.791 447 714.23 1.788 597 712.77 1.784 567 711.91 1.782 619 710.94 1.779 488 708.86 1.774 799 707.40 1.771 717 705.20 1.765 945 701.54 1.756 957 700.20 1.753 924 698.85 1.749 895 697.75 1.746 1000 694.46 1.738 725 693.36 1.735 663 692.14 1.732 544 690.31 1.728 571 689.45 1.726 549 688.48 1.723 557 687.62 1.721 509 685.91 1.717 450 684.94 1.714 474 684.45 1.713 472 683.59 1.711 473 682.37 1.708 403 680.91 1.704 392 680.05 1.702 417 677.73 1.696 287 676.15 1.692 261 674.56 1.688 275 671.14 1.680 175 667.24 1.670 55 592.53 1.483 51 590.21 1.477 55 585.57 1.466 160 584.47 1.463 128 583.13 1.460 144 582.15 1.457 152 579.83 1.451 255 576.17 1.442 479 574.34 1.438 490 571.90 1.432 505 567.38 1.420 652 566.16 1.417 610 564.21 1.412 795 561.04 1.404 491 557.98 1.397 423 556.40 1.393 313 555.30 1.390 267 552.98 1.384 151 550.66 1.378 128 547.97 1.372 82 546.51 1.368 70 545.29 1.365 75
in CDCl3
liquid film
