2-Methyltetrahydrofuran(96-47-9) IR1
Product Name2-Methyltetrahydrofuran
CAS96-47-9
Molecular FormulaC5H10O
Molecular Weight86.13
InChIInChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3
InChIKey JWUJQDFVADABEY-UHFFFAOYSA-N
SmilesO1CCCC1C
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MassMS-NW-0683 2-methyltetrahydrofuran C5H10O (Mass of molecular ion: 86)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 4.1 18.0 1.9 26.0 2.5 27.0 17.0 28.0 7.5 29.0 9.2 31.0 2.1 38.0 1.4 39.0 12.8 40.0 5.7 41.0 51.8 42.0 47.9 43.0 43.1 44.0 7.4 45.0 28.0 53.0 1.9 54.0 1.0 55.0 6.0 56.0 23.2 57.0 2.5 58.0 1.5 67.0 1.4 70.0 1.4 71.0 100.0 72.0 4.7 85.0 4.8 86.0 18.2 87.0 1.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H10 O 0.05 ml : 0.5 ml CDCl3 2-methyltetrahydrofuran 
Assign. Shift(ppm)
A 3.937 B *1 3.89 C *1 3.705 D *2 1.99 E 1.89 F *2 1.409 G 1.229 ASSIGNED BY C-H COSY. J(A,D)=6.0HZ J(A,F)=7.6HZ J(A,G)=6.0HZ J(B,C)=-6.5HZ J(C,E)=7.8HZ
Hz ppm Int.1583.50 3.963 89 1581.91 3.959 33 1577.51 3.948 137 1575.81 3.943 96 1571.41 3.932 102 1569.58 3.928 133 1565.43 3.918 115 1563.48 3.913 95 1559.45 3.903 112 1557.98 3.899 122 1557.13 3.897 146 1552.25 3.885 101 1550.90 3.881 119 1549.68 3.878 127 1543.70 3.863 104 1491.46 3.732 96 1484.99 3.716 111 1483.15 3.712 158 1476.81 3.696 148 1475.34 3.692 88 1468.87 3.676 80 812.13 2.033 37 807.01 2.020 48 805.91 2.017 42 803.71 2.012 51 803.34 2.011 49 800.78 2.004 54 800.17 2.003 52 798.95 2.000 66 798.58 1.999 65 797.49 1.996 56 797.00 1.995 52 795.65 1.991 62 794.07 1.987 45 792.72 1.984 69 792.36 1.983 70 791.75 1.982 70 789.67 1.976 59 787.23 1.970 105 785.52 1.966 47 784.55 1.964 58 781.13 1.955 93 776.00 1.942 66 774.54 1.939 37 771.85 1.932 45 769.78 1.927 65 768.55 1.924 70 767.46 1.921 66 765.38 1.916 74 764.04 1.912 69 762.45 1.908 82 761.11 1.905 71 760.74 1.904 72 760.01 1.902 61 758.42 1.898 83 756.47 1.893 110 755.98 1.892 85 753.66 1.886 52 753.30 1.885 52 752.44 1.883 37 750.85 1.879 110 750.00 1.877 66 749.02 1.875 94 748.54 1.873 99 746.46 1.868 30 744.75 1.864 47 743.16 1.860 74 742.43 1.858 78 740.72 1.854 56 738.77 1.849 41 737.06 1.845 32 736.45 1.843 33 734.74 1.839 45 580.69 1.453 55 580.20 1.452 53 572.75 1.434 91 571.66 1.431 64 571.17 1.430 57 568.85 1.424 58 568.48 1.423 57 565.31 1.415 47 564.70 1.413 51 563.84 1.411 98 563.23 1.410 62 561.04 1.404 97 559.94 1.402 62 556.40 1.393 59 553.34 1.385 58 552.98 1.384 64 552.25 1.382 86 544.56 1.363 34 500.49 1.253 34 494.38 1.238 1000 491.82 1.231 62 488.28 1.222 966 485.84 1.216 67
in CDCl3
CCl4 solution
liquid film
