糖精(81-07-2)核磁圖(1HNMR)
InChI:InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
InChIKey: CVHZOJJKTDOEJC-UHFFFAOYSA-N
Smiles:S1(=O)(=O)C2=C(C=CC=C2)C(=O)N1
-
Mass
MS-NW-0180
1,2-benzisothiazol-3(2H)-one 1,1-dioxide
C7H5NO3S (Mass of molecular ion: 183)
Source Temperature: 190 °C
Sample Temperature: 0 °C
Direct, 75 eV
26.0 1.1
27.0 1.3
28.0 1.7
37.0 5.9
38.0 10.2
39.0 7.0
41.0 1.2
43.0 3.0
45.0 2.1
45.5 1.8
46.0 1.1
48.0 5.0
49.0 3.8
50.0 67.6
51.0 6.5
52.0 4.4
53.0 1.8
61.0 3.0
62.0 4.4
63.0 14.3
64.0 14.7
65.0 2.9
69.0 4.8
70.0 2.2
73.0 4.5
74.0 24.8
75.0 18.9
76.0 100.0
77.0 7.6
78.0 1.5
81.0 1.0
84.0 3.6
90.0 3.7
91.0 9.7
92.0 42.4
93.0 3.1
95.0 1.5
96.0 2.3
103.0 17.5
104.0 23.7
105.0 2.1
112.0 2.7
119.0 54.5
120.0 43.0
121.0 4.7
122.0 1.6
140.0 7.9
183.0 91.2
184.0 8.8
185.0 4.8