二硫醇二羥基乙酸(505-73-7)紅外圖譜(IR2)
InChI:InChI=1S/C4H6O4S2/c5-3(6)1-9-10-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
InChIKey: DLLMHEDYJQACRM-UHFFFAOYSA-N
Smiles:S(CC(O)=O)SCC(O)=O
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Mass
MS-NW-5423
dithiodiacetic acid
C4H6O4S2 (Mass of molecular ion: 182)
Source Temperature: 150 °C
Sample Temperature: 130 °C
Direct, 75 eV
13.0 1.8
14.0 7.7
15.0 2.6
17.0 1.6
18.0 5.0
28.0 7.8
29.0 9.3
31.0 15.2
32.0 5.4
33.0 3.5
34.0 2.7
41.0 2.9
42.0 26.1
43.0 16.8
44.0 16.3
45.0 99.3
46.0 89.8
47.0 85.8
48.0 9.1
49.0 4.4
59.0 4.3
60.0 15.9
61.0 1.4
63.0 7.6
64.0 13.6
65.0 1.5
66.0 1.8
73.0 1.1
74.0 24.1
75.0 12.1
76.0 7.8
77.0 3.9
78.0 17.1
79.0 82.0
80.0 4.0
81.0 20.0
82.0 1.2
83.0 1.5
87.0 1.2
90.0 12.6
91.0 8.1
92.0 66.6
93.0 22.2
94.0 4.8
95.0 15.8
97.0 1.5
103.0 1.5
105.0 8.6
106.0 6.7
107.0 5.7
109.0 31.5
110.0 1.3
111.0 2.8
119.0 20.8
120.0 3.6
121.0 2.4
122.0 2.2
123.0 6.9
124.0 1.1
136.0 1.5
137.0 15.6
138.0 5.1
139.0 1.9
164.0 33.5
165.0 2.7
166.0 3.4
182.0 100.0
183.0 6.4
184.0 10.3
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| 1H NMR |
300 MHz |
| C4 H6 O4 S2
|
0.05 ml : 0.5 ml DMSO-d6
|
| dithiodiacetic acid
|
 |
Parameter ppm Hz
D(A) 3.627
|
Hz ppm Int.
1088.10 3.627 1000