2-Methylcyclopentanone(1120-72-5)IR
Product Name2-Methylcyclopentanone
CAS1120-72-5
Molecular FormulaC6H10O
Molecular Weight98.14
InChIInChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h5H,2-4H2,1H3
InChIKey ZIXLDMFVRPABBX-UHFFFAOYSA-N
SmilesC1(=O)CCCC1C
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MassMS-IW-7534 2-methylcyclopentanone C6H10O (Mass of molecular ion: 98)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.4 26.0 3.9 27.0 20.5 28.0 21.2 29.0 10.4 37.0 1.4 38.0 3.2 39.0 26.3 40.0 8.1 41.0 58.4 42.0 100.0 43.0 19.3 44.0 1.1 50.0 2.5 51.0 3.3 52.0 1.9 53.0 6.4 54.0 8.5 55.0 89.4 56.0 33.2 57.0 3.2 65.0 1.6 67.0 5.1 68.0 1.6 69.0 60.4 70.0 35.7 71.0 2.3 77.0 3.4 78.0 1.7 79.0 10.7 80.0 11.5 81.0 1.7 83.0 20.6 84.0 1.6 96.0 3.1 97.0 5.0 98.0 87.5 99.0 6.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H10 O 0.080 g : 0.5 ml CDCl3 2-methylcyclopentanone 
Assign. Shift(ppm)
A *1 2.29 B *2 2.25 C *1 2.11 D *3 2.007 E *3 1.803 F *2 1.495 G 1.091 ASSIGNED BY H-H AND C-H COSY.
Hz ppm Int.934.33 2.338 36 933.23 2.336 38 932.86 2.335 39 931.64 2.332 38 926.03 2.318 37 925.29 2.316 44 924.44 2.314 45 923.83 2.312 39 923.10 2.310 44 916.99 2.295 35 915.41 2.291 74 914.55 2.289 78 913.09 2.285 87 911.62 2.282 61 911.13 2.280 57 907.84 2.272 111 906.98 2.270 101 906.01 2.268 104 905.27 2.266 150 902.83 2.260 86 900.39 2.253 62 898.19 2.248 58 896.36 2.243 54 894.41 2.238 58 892.21 2.233 59 890.38 2.228 35 888.18 2.223 41 885.74 2.217 48 884.03 2.213 32 862.43 2.158 91 858.40 2.148 54 857.06 2.145 61 853.64 2.136 137 852.29 2.133 127 850.22 2.128 82 848.88 2.125 51 847.78 2.122 62 846.31 2.118 58 843.51 2.111 200 840.70 2.104 67 839.60 2.101 70 838.38 2.098 56 835.08 2.090 95 834.11 2.088 77 832.76 2.084 59 831.30 2.081 46 825.20 2.065 104 818.60 2.049 34 816.28 2.043 53 813.60 2.036 30 812.38 2.033 36 809.94 2.027 62 807.37 2.021 55 806.76 2.019 56 803.71 2.012 77 800.90 2.005 66 800.17 2.003 51 797.24 1.995 76 794.68 1.989 62 792.11 1.983 31 791.38 1.981 34 788.45 1.973 49 743.16 1.860 40 736.94 1.844 39 735.11 1.840 42 733.40 1.836 47 732.67 1.834 56 730.96 1.830 36 728.64 1.824 40 727.05 1.820 46 726.32 1.818 40 724.73 1.814 78 722.66 1.809 61 721.19 1.805 40 720.09 1.802 45 718.51 1.798 44 717.90 1.797 54 716.19 1.793 57 714.60 1.789 44 714.11 1.787 57 712.04 1.782 46 710.21 1.778 39 707.64 1.771 39 705.69 1.766 30 705.08 1.765 38 703.74 1.761 35 701.29 1.755 30 616.82 1.544 44 610.23 1.527 43 606.32 1.518 75 599.61 1.501 74 595.09 1.490 49 593.75 1.486 72 588.75 1.474 46 587.28 1.470 72 583.37 1.460 32 576.78 1.444 35 439.82 1.101 1000 432.74 1.083 968
in CDCl3
