S-甲基異硫脲硫酸鹽(867-44-7)核磁圖(13CNMR)
分子式:C2H8N2O4S2
分子量: 188.23
InChI:InChI=1S/C2H6N2S/c1-5-2(3)4/h1H3,(H3,3,4)
InChIKey: SDDKIZNHOCEXTF-UHFFFAOYSA-N
Smiles:C(=N)(N)SC
-
Mass
MS-NW-5458
2-methylisothiourea sulfate
C2H6N2S 1/2H2O4S (Mass of molecular ion: 90)
Source Temperature: 190 °C
Sample Temperature: 150 °C
Direct, 75 eV
13.0 1.3
14.0 1.0
15.0 2.6
16.0 1.1
17.0 1.8
18.0 2.6
28.0 5.2
32.0 1.4
41.0 2.0
42.0 14.7
43.0 100.0
44.0 3.4
45.0 12.0
46.0 4.9
47.0 17.2
48.0 11.8
49.0 1.1
59.0 1.5
72.0 1.1
73.0 2.0
74.0 1.8
90.0 26.3
91.0 1.2
92.0 1.1
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| 1H NMR |
300 MHz |
| C2 H6 N2 S
|
0.040 g : 0.5 ml D2O
|
| 2-methylisothiourea sulfate
|
 |
Parameter ppm Hz
D(A) 2.605
|
Hz ppm Int.
781.50 2.605 1000