二甘醇酸(110-99-6)Raman光譜
InChI:InChI=1S/C4H6O5/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
InChIKey: QEVGZEDELICMKH-UHFFFAOYSA-N
Smiles:O(CC(O)=O)CC(O)=O
-
Mass
MS-NW-0218
diglycolic acid
C4H6O5 (Mass of molecular ion: 134)
Source Temperature: 220 °C
Sample Temperature: 0 °C
Direct, 75 eV
14.0 5.3
15.0 4.9
17.0 1.0
18.0 3.4
19.0 1.8
28.0 3.2
29.0 26.7
30.0 2.7
31.0 100.0
32.0 1.7
41.0 1.6
42.0 33.7
43.0 5.2
44.0 10.1
45.0 17.8
58.0 1.3
59.0 16.5
60.0 59.7
61.0 56.7
62.0 1.9
88.0 2.4
89.0 10.5
116.0 7.6
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| 1H NMR |
300 MHz |
| C4 H6 O5
|
0.034 g : 0.5 ml D2O
|
| diglycolic acid
|
 |
Parameter ppm Hz
D(A) 4.295
|
Hz ppm Int.
1288.50 4.295 1000