四氫糠醇乙酸酯(637-64-9)紅外圖譜(IR1)
InChI:InChI=1S/C7H12O3/c1-6(8)10-5-7-3-2-4-9-7/h7H,2-5H2,1H3
InChIKey: AAQDYYFAFXGBFZ-UHFFFAOYSA-N
Smiles:C(C1OCCC1)OC(=O)C
-
Mass
MS-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
-
| 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