双(羧甲基)三硫代碳酸盐(6326-83-6)Raman光谱
InChI:InChI=1S/C5H6O4S3/c6-3(7)1-11-5(10)12-2-4(8)9/h1-2H2,(H,6,7)(H,8,9)
InChIKey: GQECANUIPBFPLA-UHFFFAOYSA-N
Smiles:C(SCC(O)=O)(SCC(O)=O)=S
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Mass
MS-NW-6280
bis(carboxymethyl) trithiocarbonate
C5H6O4S3 (Mass of molecular ion: 226)
Source Temperature: 170 °C
Sample Temperature: 140 °C
Direct, 75 eV
12.0 1.1
13.0 1.9
14.0 6.5
15.0 1.3
17.0 1.5
18.0 5.7
28.0 8.3
29.0 5.5
31.0 7.8
32.0 18.2
33.0 4.0
34.0 2.8
36.0 1.1
38.0 1.1
41.0 2.8
42.0 19.1
43.0 3.8
44.0 15.4
45.0 54.9
46.0 100.0
47.0 90.2
48.0 8.4
49.0 4.4
57.0 1.4
58.0 1.7
59.0 12.2
60.0 35.8
61.0 1.7
62.0 1.8
63.0 3.9
64.0 7.4
74.0 56.1
75.0 5.4
76.0 24.6
77.0 4.3
78.0 5.9
79.0 2.3
90.0 3.1
91.0 4.8
92.0 50.9
93.0 8.0
94.0 3.0
105.0 1.6
106.0 5.7
107.0 15.3
108.0 1.5
109.0 1.7
119.0 1.5
134.0 36.1
135.0 22.0
136.0 4.6
137.0 2.3
148.0 6.7
149.0 1.5
150.0 1.4
166.0 1.3
167.0 1.1
226.0 12.8
227.0 1.1
228.0 2.0
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| 1H NMR |
399.65 MHz |
| C5 H6 O4 S3
|
0.040 g : 0.5 ml DMSO-d6
|
| bis(carboxymethyl) trithiocarbonate
|
 |
Assign. Shift(ppm)
A 13.0
B 4.258
|
Hz ppm Int.
1701.99 4.259 1000