(R)-3-羥基丁酸甲酯(3976-69-0)核磁圖(13CNMR)
InChI:InChI=1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3/t4-/m1/s1
InChIKey: LDLDJEAVRNAEBW-SCSAIBSYSA-N
Smiles:C(OC)(=O)C[C@H](O)C
-
Mass
MS-NW-5421
(-)-methyl (R)-3-hydroxybutyrate
C5H10O3 (Mass of molecular ion: 118)
Source Temperature: 260 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
13.0 1.1
14.0 8.5
15.0 22.4
18.0 1.7
19.0 2.6
26.0 1.5
27.0 6.3
28.0 4.8
29.0 19.4
30.0 1.4
31.0 15.8
32.0 5.5
33.0 7.0
38.0 1.0
39.0 5.5
40.0 1.1
41.0 8.0
42.0 28.8
43.0 100.0
44.0 13.1
45.0 55.1
46.0 1.4
57.0 1.1
58.0 4.1
59.0 10.7
60.0 1.1
61.0 12.3
69.0 6.5
71.0 26.1
72.0 1.1
74.0 50.2
75.0 2.8
85.0 5.4
87.0 16.7
100.0 3.7
103.0 15.6
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C5 H10 O3
|
0.05 ml : 0.5 ml CDCl3
|
| (-)-methyl (R)-3-hydroxybutyrate
|
 |
Assign. Shift(ppm)
A 4.210
B 3.708
C 3.6
D *1 2.48
E *1 2.47
F 1.232
D AND E WERE CONFIRMED BY LAOCN PROGRAM.
|
Hz ppm Int.
1692.50 4.235 26
1691.65 4.233 61
1690.92 4.232 37
1686.28 4.220 63
1685.42 4.218 83
1684.57 4.216 81
1679.93 4.204 65
1679.20 4.202 84
1678.34 4.200 79
1672.85 4.186 61
1672.00 4.184 33
1481.93 3.709 1000
1002.56 2.509 22
991.82 2.482 392
986.57 2.469 217
984.50 2.464 214
502.32 1.257 23
501.10 1.254 24
495.61 1.241 700
489.26 1.225 655
-
| 1H NMR |
89.56 MHz |
| C5 H10 O3
|
0.04 ml : 0.5 ml CDCl3
|
| (-)-methyl (R)-3-hydroxybutyrate
|
|
Assign. Shift(ppm)
A 4.21
B 3.710
C 3.24
D *1 2.50
E *1 2.43
F 1.233
|
Hz ppm Int.
386.00 4.310 31
380.56 4.250 34
379.69 4.240 42
379.13 4.234 39
374.19 4.179 39
373.69 4.173 45
372.88 4.164 40
367.44 4.103 36
332.38 3.712 1000
290.50 3.244 115
224.19 2.504 282
218.69 2.442 125
217.38 2.428 130
113.50 1.268 607
107.25 1.198 567