D-丙氨酸(338-69-2)红外图谱(IR1)
InChI:InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1
InChIKey: QNAYBMKLOCPYGJ-UWTATZPHSA-N
Smiles:C(O)(=O)[C@@H](C)N
-
Mass
MS-NW-0240
D-alanine
C3H7NO2 (Mass of molecular ion: 89)
Source Temperature: 200 °C
Sample Temperature: 0 °C
Direct, 75 eV
15.0 3.5
18.0 16.4
26.0 1.3
27.0 4.5
28.0 12.9
29.0 1.5
40.0 2.0
41.0 3.4
42.0 11.5
43.0 3.8
44.0 100.0
45.0 3.5
46.0 1.9
74.0 2.5
90 MHz in D2O
400 MHz in D2O
-
| 1H NMR |
89.56 MHz |
| C3 H7 N O2
|
0.038 g : 0.5 ml D2O
|
| D-alanine
|
 |
Assign. Shift(ppm)
B 3.783
C 1.482
THE SOLVENT SIGNAL REMOVED.
|
Hz ppm Int.
350.13 3.910 95
342.81 3.828 283
335.56 3.747 301
328.44 3.668 116
140.81 1.573 31
136.25 1.522 1000
129.00 1.441 923
123.88 1.384 25
-
| 1H NMR |
399.65 MHz |
| C3 H7 N O2
|
0.037 g : 0.5 ml D2O
|
| D-alanine
|
|
Assign. Shift(ppm)
A 3.786
B 1.482
THE SOLVENT PEAK SUPPRESSED.
|
Hz ppm Int.
1524.41 3.815 93
1517.09 3.797 294
1509.89 3.779 297
1502.56 3.760 94
595.83 1.491 1000
588.62 1.473 944