DL-BENZYLSUCCINIC ACID(884-33-3) IR2
Molecular FormulaC11H12O4
Molecular Weight208.21
InChIInChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)
InChIKey GTOFKXZQQDSVFH-UHFFFAOYSA-N
SmilesC(O)(=O)C(CC1=CC=CC=C1)CC(O)=O
-
Mass
MS-IW-3756
benzylsuccinic acid
C11H12O4 (Mass of molecular ion: 208)
Source Temperature: 120 °C
Sample Temperature: 90 °C
Direct, 75 eV
18.0 1.3
27.0 2.1
39.0 7.0
41.0 3.1
43.0 1.1
45.0 2.7
50.0 2.0
51.0 6.4
52.0 1.6
55.0 1.8
57.5 1.9
58.0 2.0
60.0 3.0
62.0 1.0
63.0 4.0
64.0 1.0
65.0 16.0
66.0 1.1
77.0 7.3
78.0 4.9
79.0 2.8
89.0 3.7
90.0 1.6
91.0 100.0
92.0 9.5
99.0 1.0
102.0 1.8
103.0 10.6
104.0 6.6
105.0 2.9
107.0 3.0
115.0 9.9
116.0 3.9
117.0 36.5
118.0 5.7
120.0 3.4
121.0 1.0
130.0 1.0
131.0 49.4
132.0 5.1
144.0 2.9
145.0 21.5
146.0 2.8
147.0 20.8
148.0 36.3
149.0 34.0
150.0 5.1
162.0 64.1
163.0 7.2
173.0 1.6
177.0 1.0
190.0 12.7
191.0 2.3
208.0 29.6
209.0 3.7