3-Hydroxytetrahydrofuran(453-20-3) 13C NMR
Product Name3-Hydroxytetrahydrofuran
CAS453-20-3
Molecular FormulaC4H8O2
Molecular Weight88.11
InChIInChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2
InChIKey XDPCNPCKDGQBAN-UHFFFAOYSA-N
SmilesO1CCC(O)C1
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MassMS-NW-8554 tetrahydrofuran-3-ol C4H8O2 (Mass of molecular ion: 88)
Source Temperature: 260 °C Sample Temperature: 140 °C Reservoir, 75 eV
14.0 1.2 15.0 4.5 18.0 1.7 26.0 2.6 27.0 10.9 28.0 16.1 29.0 28.4 30.0 18.8 31.0 40.6 32.0 8.1 33.0 1.2 38.0 1.4 39.0 10.5 40.0 8.5 41.0 11.0 42.0 9.1 43.0 19.6 44.0 15.4 45.0 5.1 55.0 2.0 56.0 2.2 57.0 100.0 58.0 82.2 59.0 4.6 60.0 7.7 61.0 1.0 69.0 1.4 70.0 15.5 71.0 2.7 87.0 1.4 88.0 10.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C4 H8 O2 0.05 ml : 0.5 ml CDCl3 tetrahydrofuran-3-ol 
Assign. Shift(ppm)
A 4.457 B 4.04 C 3.948 D 3.824 E *1 3.769 F *1 3.712 G 2.053 J 1.896 J(C,D)=-8.7HZ J(C,G)=7.0HZ J(C,J)=8.7HZ J(D,J)=4.2HZ J(E,F)=-9.7HZ J(E,A)=4.2HZ J(G,D)=J(G,A)=8.7HZ J(G,J)=-13.2HZ ASSIGNED BY H-H COSY.
Hz ppm Int.1797.85 4.499 32 1795.65 4.494 35 1793.70 4.489 43 1791.87 4.484 49 1788.21 4.475 205 1786.38 4.470 369 1784.42 4.465 370 1782.23 4.460 508 1780.64 4.456 540 1778.69 4.451 403 1776.49 4.446 394 1774.54 4.441 254 1769.41 4.428 35 1614.01 4.039 738 1602.42 4.010 88 1596.44 3.995 46 1595.09 3.992 53 1593.38 3.987 65 1590.58 3.980 291 1586.43 3.970 71 1583.62 3.963 343 1582.15 3.959 610 1578.13 3.949 80 1575.20 3.942 591 1573.61 3.938 513 1566.65 3.921 398 1562.26 3.910 56 1555.30 3.892 38 1554.81 3.891 37 1553.47 3.888 34 1552.86 3.886 34 1549.80 3.878 47 1548.22 3.874 42 1547.00 3.871 41 1545.78 3.868 50 1541.26 3.857 69 1538.45 3.850 419 1534.30 3.840 440 1529.79 3.828 632 1525.76 3.818 661 1521.48 3.808 360 1517.46 3.797 355 1514.65 3.790 562 1510.50 3.780 508 1505.00 3.766 985 1500.85 3.756 1000 1493.41 3.737 76 1489.01 3.726 581 1487.18 3.722 782 1486.08 3.719 754 1479.37 3.702 289 1477.91 3.699 395 1477.54 3.698 396 1476.56 3.695 382 1468.02 3.674 30 1467.53 3.673 30 1466.43 3.670 32 839.72 2.102 172 836.79 2.094 43 833.98 2.087 183 831.05 2.080 328 826.54 2.069 291 825.32 2.066 369 822.39 2.058 207 820.80 2.054 285 817.87 2.047 474 816.77 2.044 276 812.13 2.033 459 809.20 2.025 266 803.47 2.011 236 774.66 1.939 33 770.26 1.928 156 769.29 1.925 192 768.43 1.923 212 767.46 1.921 212 766.36 1.918 213 765.26 1.915 218 764.40 1.913 229 763.31 1.910 320 762.45 1.908 254 761.60 1.906 238 760.50 1.903 225 759.40 1.901 214 758.42 1.898 218 757.32 1.895 285 756.23 1.893 296 755.37 1.891 211 754.27 1.888 177 753.17 1.885 162 752.20 1.883 162 751.22 1.880 166 750.24 1.878 228 749.27 1.875 179 748.41 1.873 166 747.31 1.870 155 746.34 1.868 147 745.24 1.865 146 744.38 1.863 145 743.29 1.860 136
in CDCl3
liquid film
