稻瘟灵(50512-35-1)核磁图(13CNMR)
分子式:C12H18O4S2
分子量: 290.4
InChI:InChI=1S/C12H18O4S2/c1-7(2)15-10(13)9(11(14)16-8(3)4)12-17-5-6-18-12/h7-8H,5-6H2,1-4H3
InChIKey: UFHLMYOGRXOCSL-UHFFFAOYSA-N
Smiles:C(OC(C)C)(=O)/C(=C1/SCCS/1)/C(OC(C)C)=O
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Mass
MS2001-00773WA
isoprothiolane
C12H18O4S2 (Mass of molecular ion: 290)
Source Temperature: 205 °C
Sample Temperature: 25 °C
Direct, 70 eV
27.0 11.1
28.0 1.1
39.0 4.6
41.0 19.8
42.0 1.7
43.0 39.9
44.0 1.3
45.0 7.5
57.0 1.3
58.0 2.1
59.0 5.9
60.0 11.0
61.0 8.4
71.0 1.4
76.0 1.8
77.0 1.2
84.0 2.8
85.0 8.8
86.0 2.2
88.0 5.9
89.0 9.7
90.0 1.3
93.0 1.3
102.0 2.1
103.0 1.0
105.0 4.6
116.0 10.4
117.0 2.1
118.0 88.8
119.0 5.4
120.0 7.7
121.0 1.0
129.0 4.4
133.0 3.4
134.0 11.5
136.0 1.1
144.0 8.7
145.0 24.1
146.0 5.8
147.0 3.9
159.0 2.2
160.0 14.4
161.0 4.4
162.0 100.0
163.0 7.3
164.0 9.1
173.0 3.8
176.0 5.4
178.0 21.8
179.0 1.4
180.0 2.1
187.0 2.0
189.0 78.9
190.0 7.8
191.0 7.6
204.0 53.6
205.0 6.0
206.0 10.3
207.0 1.0
220.0 1.3
231.0 48.7
232.0 6.5
233.0 4.9
248.0 1.5
290.0 81.2
291.0 12.7
292.0 8.6
293.0 1.2