4-吡啶巰基乙酸(10351-19-6)核磁圖(1HNMR)
InChI:InChI=1S/C7H7NO2S/c9-7(10)5-11-6-1-3-8-4-2-6/h1-4H,5H2,(H,9,10)
InChIKey: PGUPJAPHYIEKLT-UHFFFAOYSA-N
Smiles:C(O)(=O)CSC1C=CN=CC=1
-
Mass
MS-NW-6735
(4-pyridylthio)acetic acid
C7H7NO2S (Mass of molecular ion: 169)
Source Temperature: 150 °C
Sample Temperature: 160 °C
Direct, 75 eV
14.0 1.8
18.0 2.8
26.0 3.8
27.0 2.0
28.0 4.9
29.0 2.1
31.0 2.7
37.0 2.6
38.0 5.4
39.0 30.7
40.0 2.1
41.0 1.2
42.0 4.5
44.0 2.4
45.0 25.4
46.0 7.4
47.0 4.4
49.0 3.1
50.0 18.8
51.0 52.7
52.0 11.0
53.0 7.3
54.0 3.2
57.0 9.0
58.0 2.6
59.0 7.0
62.0 1.2
63.0 1.7
64.0 1.3
65.0 2.4
66.0 1.9
67.0 1.4
69.0 8.8
70.0 2.3
71.0 4.0
75.0 1.4
76.0 1.6
78.0 29.2
79.0 10.5
80.0 33.9
81.0 3.2
82.0 6.5
83.0 9.9
84.0 3.2
91.0 2.5
92.0 5.4
93.0 1.0
96.0 1.9
97.0 17.1
98.0 1.5
110.0 5.7
111.0 1.8
122.0 3.4
123.0 4.8
124.0 100.0
125.0 10.4
126.0 5.2
151.0 2.0
169.0 74.0
170.0 7.1
171.0 4.2