3-羥基-2-丁酮(513-86-0)核磁圖(1HNMR)
InChI:InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3
InChIKey: ROWKJAVDOGWPAT-UHFFFAOYSA-N
Smiles:CC(=O)C(O)C
-
Mass
MS-NW-4321
acetoin
C4H8O2 (Mass of molecular ion: 88)
Source Temperature: 230 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
14.0 2.2
15.0 11.4
18.0 2.5
19.0 6.7
26.0 1.5
27.0 11.8
28.0 1.7
29.0 6.2
31.0 1.3
39.0 1.5
41.0 1.5
42.0 4.4
43.0 100.0
44.0 4.0
45.0 97.8
46.0 2.3
54.0 1.2
55.0 2.2
57.0 2.7
71.0 6.9
72.0 20.8
73.0 2.2
87.0 2.0
88.0 7.6
114.0 4.6
115.0 2.8
400 MHz in CDCl3
90 MHz in CDCl3
-
| 1H NMR |
399.65 MHz |
| C4 H8 O2
|
0.05 ml : 0.5 ml CDCl3
|
| acetoin
|
 |
Assign. Shift(ppm)
A 4.267
B 3.91
C 2.216
D 1.389
|
Hz ppm Int.
1716.19 4.295 61
1709.11 4.277 168
1702.03 4.259 171
1694.95 4.242 63
898.07 2.248 21
895.75 2.242 28
885.74 2.217 1000
566.41 1.418 29
558.84 1.399 720
551.64 1.381 739
546.88 1.369 29
-
| 1H NMR |
89.56 MHz |
| C4 H8 O2
|
0.05 ml : 0.5 ml CDCl3
|
| acetoin
|
|
Assign. Shift(ppm)
A 4.255
B 3.65
C 2.209
D 1.386
|
Hz ppm Int.
392.00 4.377 34
385.13 4.301 104
378.06 4.222 108
370.69 4.140 40
326.81 3.650 106
198.06 2.212 1000
197.75 2.209 994
195.13 2.179 33
194.69 2.174 35
127.69 1.426 699
125.44 1.401 40
124.50 1.391 32
120.56 1.347 662
118.31 1.322 40