OVEX(80-33-1) 1H NMR
Molecular FormulaC12H8Cl2O3S
Molecular Weight303.16
InChIInChI=1S/C12H8Cl2O3S/c13-9-1-5-11(6-2-9)17-18(15,16)12-7-3-10(14)4-8-12/h1-8H
InChIKey RZXLPPRPEOUENN-UHFFFAOYSA-N
SmilesC1(S(OC2=CC=C(Cl)C=C2)(=O)=O)=CC=C(Cl)C=C1
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Mass
MS2001-00770WA
chlorfenson
C12H8Cl2O3S (Mass of molecular ion: 302)
Source Temperature: 205 °C
Sample Temperature: 25 °C
Direct, 70 eV
38.0 1.7
39.0 2.0
50.0 5.5
51.0 2.8
62.0 1.9
63.0 7.7
64.0 2.4
73.0 8.0
74.0 3.4
75.0 20.1
76.0 4.7
85.0 2.4
99.0 20.5
100.0 1.4
101.0 6.5
111.0 68.5
112.0 4.7
113.0 21.7
114.0 1.5
127.0 15.1
128.0 3.5
129.0 5.0
130.0 1.1
131.0 1.1
139.0 1.8
159.0 2.5
161.0 1.0
168.0 1.0
175.0 100.0
176.0 7.3
177.0 36.7
178.0 2.7
179.0 1.6
302.0 45.5
303.0 6.6
304.0 31.6
305.0 4.5
306.0 6.3