Product NameTodomatuic acid
CAS6753-22-6
Molecular FormulaC15H24O3
Molecular Weight252.35
InChI
InChIKey
Smiles

Mass
MS-IW-3031 (R-(R*,R*))-4-(1,5-dimethyl-3-oxohexyl)-1-cyclohexenecarboxylic acid C15H24O3 (Mass of molecular ion: 252)
Source Temperature: 130 °C Sample Temperature: 110 °C Direct, 75 eV
17.0 1.3
18.0 5.9
27.0 5.7
28.0 1.6
29.0 10.7
39.0 6.6
40.0 1.5
41.0 23.5
42.0 3.0
43.0 14.5
44.0 1.0
45.0 1.7
51.0 1.6
52.0 1.1
53.0 5.7
54.0 1.5
55.0 7.9
56.0 1.8
57.0 45.0
58.0 20.5
59.0 2.5
65.0 2.7
66.0 1.1
67.0 8.2
68.0 1.9
69.0 6.3
70.0 1.0
71.0 5.1
72.0 1.0
77.0 7.9
78.0 2.2
79.0 19.6
80.0 3.4
81.0 5.2
82.0 1.1
83.0 2.7
85.0 27.9
86.0 3.7
91.0 7.3
92.0 1.3
93.0 5.4
94.0 1.0
95.0 2.0
97.0 2.0
100.0 4.7
101.0 12.7
105.0 7.7
106.0 3.5
107.0 32.8
108.0 5.6
109.0 2.0
111.0 7.2
113.0 1.5
121.0 4.4
122.0 2.6
123.0 9.1
124.0 2.8
125.0 10.6
126.0 1.6
127.0 30.8
128.0 3.2
131.0 1.0
133.0 1.5
134.0 100.0
135.0 24.1
136.0 2.8
137.0 1.5
149.0 7.6
150.0 4.6
151.0 9.0
152.0 61.3
153.0 21.6
154.0 2.4
163.0 2.3
164.0 1.6
177.0 12.1
178.0 3.1
191.0 1.2
195.0 4.5
206.0 12.2
207.0 2.0
234.0 23.2
235.0 4.3
252.0 2.8
KBr disc

nujol mull

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