Methylcyclopentane(96-37-7) IR1
Product NameMethylcyclopentane
CAS96-37-7
Molecular FormulaC6H12
Molecular Weight84.16
InChIInChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKey GDOPTJXRTPNYNR-UHFFFAOYSA-N
SmilesC1(C)CCCC1
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MassMS-NW-1064 methylcyclopentane C6H12 (Mass of molecular ion: 84)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
26.0 1.2 27.0 10.0 28.0 1.1 29.0 7.2 38.0 1.2 39.0 14.0 40.0 3.6 41.0 49.5 42.0 24.7 43.0 11.2 50.0 1.1 51.0 1.5 53.0 2.8 54.0 3.2 55.0 23.1 56.0 100.0 57.0 6.1 67.0 2.3 68.0 4.1 69.0 35.4 70.0 1.9 84.0 17.5 85.0 1.2
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C6 H12 0.05 ml : 0.5 ml CDCl3 methylcyclopentane 
Assign. Shift(ppm)
A 1.868 B *1 1.728 C *2 1.62 D *2 1.52 E *1 1.055 F 0.968
Hz ppm Int.760.01 1.902 46 758.91 1.899 50 751.71 1.881 92 745.00 1.865 103 737.92 1.847 74 736.33 1.843 48 706.30 1.768 47 705.32 1.765 48 704.35 1.763 48 702.64 1.759 47 700.93 1.754 59 699.71 1.751 87 698.85 1.749 83 697.39 1.746 88 695.80 1.742 83 694.21 1.738 128 692.75 1.734 95 691.89 1.732 91 690.31 1.728 83 688.60 1.724 103 687.13 1.720 124 684.81 1.714 92 683.11 1.710 101 681.76 1.706 99 678.71 1.699 55 677.25 1.695 44 675.90 1.692 66 674.68 1.689 56 656.49 1.643 48 654.42 1.638 79 654.05 1.637 82 652.95 1.634 55 652.47 1.633 53 650.27 1.628 122 648.93 1.624 79 646.61 1.618 129 645.87 1.617 152 643.80 1.611 83 643.31 1.610 83 642.46 1.608 90 641.60 1.606 95 640.87 1.604 84 638.79 1.599 113 636.35 1.593 71 635.74 1.591 71 634.40 1.588 57 632.93 1.584 60 629.76 1.576 62 625.12 1.565 46 622.19 1.557 56 620.85 1.554 60 617.19 1.545 38 615.11 1.540 80 614.62 1.538 63 613.89 1.537 57 612.67 1.534 93 612.06 1.532 98 611.33 1.530 122 610.60 1.528 87 607.79 1.521 128 607.18 1.520 119 606.45 1.518 106 604.37 1.513 152 603.88 1.512 146 603.39 1.510 132 602.78 1.509 96 602.05 1.507 74 600.22 1.502 107 599.12 1.500 132 596.80 1.494 88 595.21 1.490 68 594.36 1.488 58 592.53 1.483 53 592.04 1.482 48 591.19 1.480 38 439.82 1.101 47 438.72 1.098 49 437.99 1.096 41 433.96 1.086 49 431.52 1.080 114 428.71 1.073 70 427.25 1.070 78 425.90 1.066 109 423.58 1.060 122 421.75 1.056 80 419.19 1.049 126 417.60 1.045 102 416.14 1.042 75 415.28 1.040 82 413.33 1.035 75 411.50 1.030 96 408.08 1.022 43 404.05 1.012 40 402.95 1.009 41 390.38 0.977 1000 387.82 0.971 77 383.67 0.961 941 381.23 0.954 97
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1H NMR 89.56 MHz C6 H12 0.04 ml : 0.5 ml CDCl3 methylcyclopentane Assign. Shift(ppm)
A 1.80 B 1.75 to 1.41 C 1.18 to 0.78 D 0.970
Hz ppm Int.161.31 1.802 153 145.38 1.624 410 138.13 1.543 300 89.50 1.000 1000 83.44 0.932 743
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
