2-乙酰基呋喃(1192-62-7)Raman光譜
InChI:InChI=1S/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H3
InChIKey: IEMMBWWQXVXBEU-UHFFFAOYSA-N
Smiles:C(=O)(C1=CC=CO1)C
-
Mass
MS-NW-1322
2-acetylfuran
C6H6O2 (Mass of molecular ion: 110)
Source Temperature: 260 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
14.0 1.2
15.0 5.3
26.0 1.4
27.0 3.6
28.0 2.1
29.0 2.3
37.0 2.8
38.0 6.1
39.0 23.6
40.0 3.6
42.0 2.9
43.0 16.9
50.0 1.6
51.0 3.4
53.0 1.8
67.0 5.0
68.0 3.7
95.0 100.0
96.0 5.3
110.0 43.6
111.0 3.2
90 MHz in CDCl3
parameter in acetone-d6
-
| 1H NMR |
89.56 MHz |
| C6 H6 O2
|
0.04 ml : 0.5 ml CDCl3
|
| 2-acetylfuran
|
 |
Assign. Shift(ppm)
A 7.595
B 7.190
C 6.544
D 2.479
|
Hz ppm Int.
681.38 7.609 113
680.63 7.600 117
679.69 7.590 112
678.88 7.581 94
646.13 7.215 102
645.38 7.207 86
642.56 7.175 114
641.81 7.167 93
588.56 6.572 96
586.81 6.553 95
585.00 6.532 87
583.25 6.513 78
222.06 2.480 1000
-
| 1H NMR |
300 MHz |
| C6 H6 O2
|
in acetone-d6
|
| 2-acetylfuran
|
|
Parameter ppm Hz
D(A) 7.81
D(B) 6.65
D(C) 7.32
J(A,B) 1.74
J(A,C) 0.76
J(B,C) 3.58
D(D) 2.41
FRINGUELLI,F. ET AL. ACTA CHEM.SCAND. 28 B, 175 (1974)
|
Hz ppm Int.
2344.24 7.814 106
2343.53 7.812 115
2342.53 7.808 114
2341.78 7.806 106
2198.16 7.327 101
2197.46 7.325 101
2194.61 7.315 105
2193.91 7.313 104
1997.63 6.659 91
1995.97 6.653 92
1994.12 6.647 90
1992.36 6.641 87
722.98 2.410 1000