TETRAHYDROFURFURYL ACETATE(637-64-9) IR2
Product NameTETRAHYDROFURFURYL ACETATE
CAS637-64-9
Molecular FormulaC7H12O3
Molecular Weight144.17
InChIInChI=1S/C7H12O3/c1-6(8)10-5-7-3-2-4-9-7/h7H,2-5H2,1H3
InChIKey AAQDYYFAFXGBFZ-UHFFFAOYSA-N
SmilesC(C1OCCC1)OC(=O)C
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MassMS-NW-1487 tetrahydrofurfuryl acetate C7H12O3 (Mass of molecular ion: 144)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 5.5 27.0 9.4 28.0 2.2 29.0 4.2 31.0 2.0 39.0 5.7 40.0 1.1 41.0 16.2 42.0 7.9 43.0 50.1 44.0 2.0 54.0 2.5 55.0 2.5 56.0 1.2 57.0 1.0 70.0 1.8 71.0 100.0 72.0 5.1 73.0 1.4 83.0 1.0 84.0 9.1 85.0 1.1
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C7 H12 O3 0.05 ml : 0.5 ml CDCl3 tetrahydrofurfuryl acetate 
Assign. Shift(ppm)
A *1 4.15 B 4.12 C *1 3.995 D *2 3.889 E *2 3.801 F 2.087 G *3 2.01 J 1.92 K *3 1.615 A AND B WERE CONFIRMED BY LAOCN PROGRAM. ASSINED BY H-H COSY. 90MHZ :HSP-03-415
Hz ppm Int.1665.89 4.169 103 1662.35 4.160 138 1656.37 4.145 66 1655.03 4.142 55 1653.44 4.138 92 1652.10 4.134 201 1650.88 4.131 173 1648.44 4.125 45 1644.78 4.116 101 1641.36 4.107 73 1637.82 4.099 42 1634.28 4.090 36 1605.22 4.017 47 1603.27 4.012 80 1597.29 3.997 148 1592.90 3.986 136 1587.04 3.972 53 1566.16 3.919 57 1559.33 3.902 101 1557.86 3.899 99 1552.86 3.886 65 1550.90 3.881 149 1544.43 3.865 81 1528.69 3.826 72 1522.58 3.810 81 1521.73 3.808 97 1515.38 3.792 83 1514.40 3.790 68 1513.43 3.787 75 1507.08 3.771 47 840.82 2.104 35 834.35 2.088 1000 830.93 2.080 53 821.78 2.057 35 816.89 2.045 176 815.19 2.040 39 813.48 2.036 37 809.69 2.026 47 808.23 2.023 44 806.88 2.019 44 804.93 2.015 34 802.86 2.009 30 801.27 2.005 67 798.46 1.998 31 797.97 1.997 32 796.39 1.993 52 794.31 1.988 34 789.31 1.976 50 783.20 1.960 52 780.27 1.953 33 779.42 1.951 44 778.81 1.949 38 777.22 1.945 62 776.49 1.943 62 775.15 1.940 62 772.34 1.933 123 770.26 1.928 71 768.92 1.924 81 765.87 1.917 104 765.26 1.915 102 763.79 1.912 83 761.96 1.907 61 760.50 1.903 35 758.67 1.899 56 757.57 1.896 68 756.96 1.895 67 750.49 1.878 36 661.25 1.655 33 654.42 1.638 57 652.95 1.634 34 652.47 1.633 34 649.41 1.625 33 647.58 1.621 37 645.63 1.616 58 642.21 1.607 52 641.11 1.605 37 638.79 1.599 36 634.03 1.587 47
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1H NMR 89.56 MHz C7 H12 O3 0.04 ml : 0.5 ml CDCl3 tetrahydrofurfuryl acetate Assign. Shift(ppm)
A 4.22 to 3.94 B 3.94 to 3.76 C 2.087 D 2.03 to 1.81 E 1.66 400MHZ : HSP-41-837
Hz ppm Int.377.75 4.218 43 368.69 4.117 82 367.69 4.106 46 366.25 4.090 85 365.44 4.081 84 364.31 4.068 147 361.44 4.036 54 352.81 3.940 76 349.44 3.902 37 346.31 3.867 63 345.38 3.857 40 342.50 3.825 62 339.88 3.795 43 336.56 3.758 42 187.00 2.088 1000 184.00 2.055 108 180.88 2.020 31 177.50 1.982 70 176.75 1.974 73 176.00 1.966 66 173.19 1.934 37 170.94 1.909 84 170.31 1.902 81 166.00 1.854 31 165.38 1.847 41 164.31 1.835 67
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
