对叔丁基苯甲酸(98-73-7)红外图谱(IR2)
InChI:InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)
InChIKey: KDVYCTOWXSLNNI-UHFFFAOYSA-N
Smiles:C(O)(=O)C1=CC=C(C(C)(C)C)C=C1
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Mass
MS-NW-1639
p-tert-butylbenzoic acid
C11H14O2 (Mass of molecular ion: 178)
Source Temperature: 240 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
27.0 2.6
29.0 2.7
39.0 7.1
41.0 19.1
45.0 1.8
50.0 2.5
51.0 4.8
52.0 1.0
53.0 1.2
57.0 1.2
58.0 1.2
63.0 2.1
65.0 3.2
72.0 1.1
74.0 1.0
75.0 1.5
76.0 1.3
77.0 7.7
78.0 1.6
79.0 6.8
89.0 1.2
90.0 1.1
91.0 23.6
92.0 1.8
102.0 1.1
103.0 2.9
105.0 2.4
107.0 3.6
115.0 4.0
116.0 1.1
117.0 3.3
118.0 2.0
119.0 1.7
123.0 1.3
135.0 22.2
136.0 2.2
145.0 1.8
163.0 100.0
164.0 11.3
165.0 1.0
178.0 21.0
179.0 2.6