2-甲基呋喃(534-22-5)質(zhì)譜(MS)
InChI:InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3
InChIKey: VQKFNUFAXTZWDK-UHFFFAOYSA-N
Smiles:O1C=CC=C1C
-
Mass
MS-NW-0692
2-methylfuran
C5H6O (Mass of molecular ion: 82)
Source Temperature: 210 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
15.0 2.7
26.0 5.2
27.0 23.2
28.0 9.1
29.0 3.0
37.0 3.2
38.0 4.8
39.0 38.0
40.0 1.4
41.0 1.9
43.0 4.1
49.0 2.0
50.0 9.3
51.0 10.8
52.0 6.1
53.0 61.6
54.0 13.6
55.0 2.2
80.0 1.0
81.0 58.3
82.0 100.0
83.0 5.7
parameter in cyclohexane
400 MHz in CDCl3
-
| 1H NMR |
300 MHz |
| C5 H6 O
|
33 % in cyclohexane
|
| 2-methylfuran
|
 |
Parameter ppm Hz
D(A) 7.159
D(B) 6.146
D(C) 5.818
D(D) 2.183
J(A,B) 1.90
J(A,C) 0.90
J(A,D) -0.40
J(B,C) 3.15
J(B,D) 0.45
J(C,D) -1.00
RODMAR,S. ET AL. ACTA CHEM.SCAND. 19, 485 (1965)
|
Hz ppm Int.
2148.46 7.162 199
2148.00 7.160 195
2146.99 7.157 204
1846.27 6.154 126
1844.29 6.148 148
1843.46 6.145 151
1841.48 6.138 128
1747.90 5.826 123
1746.98 5.823 171
1746.01 5.820 147
1744.85 5.816 144
1743.84 5.813 163
1742.92 5.810 115
654.92 2.183 1000
654.50 2.182 969
-
| 1H NMR |
399.65 MHz |
| C5 H6 O
|
0.05 ml : 0.5 ml CDCl3
|
| 2-methylfuran
|
|
Assign. Shift(ppm)
A 7.248
B 6.234
C 5.934
D 2.262
J(A,B)=1.8HZ
J(A,C)=1.0HZ
J(A,D)=0.4HZ
J(B,D)=0.4HZ
J(B,C)=3.2HZ
J(C,D)=1.0HZ
|
Hz ppm Int.
2898.07 7.252 300
2897.58 7.251 312
2897.22 7.250 291
2896.61 7.248 300
2896.24 7.247 312
2895.75 7.246 296
2895.39 7.245 274
2494.14 6.241 263
2493.65 6.240 226
2492.31 6.237 234
2491.82 6.236 265
2491.46 6.235 209
2490.97 6.233 248
2490.60 6.232 263
2489.14 6.229 252
2488.65 6.228 233
2375.12 5.944 108
2374.15 5.941 256
2373.17 5.939 315
2372.19 5.936 284
2370.97 5.933 265
2370.00 5.931 290
2369.02 5.928 227
2368.04 5.926 93
904.91 2.265 966
904.42 2.264 1000
904.05 2.263 875
903.44 2.261 940
902.95 2.260 844