4-正戊基苯甲酸(26311-45-5)核磁图(1HNMR)
InChI:InChI=1S/C12H16O2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9H,2-5H2,1H3,(H,13,14)
InChIKey: CWYNKKGQJYAHQG-UHFFFAOYSA-N
Smiles:C(O)(=O)C1=CC=C(CCCCC)C=C1
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Mass
MS2002-01376WA
4-amylbenzoic acid
C12H16O2 (Mass of molecular ion: 192)
Source Temperature: 250 °C
Sample Temperature: 270 °C
Reservoir, 70 eV
27.0 7.4
29.0 16.2
39.0 8.3
40.0 1.0
41.0 18.8
42.0 1.8
43.0 1.6
45.0 1.3
50.0 2.1
51.0 5.5
52.0 1.4
53.0 2.3
55.0 2.7
57.0 10.8
62.0 1.1
63.0 4.8
64.0 2.0
65.0 5.9
75.0 1.4
76.0 1.5
77.0 16.4
78.0 3.5
79.0 5.2
89.0 8.5
90.0 12.6
91.0 61.7
92.0 55.6
93.0 4.5
102.0 1.5
103.0 5.7
104.0 1.7
105.0 9.4
106.0 1.2
107.0 24.8
108.0 2.0
115.0 4.5
116.0 1.1
117.0 2.6
118.0 9.7
119.0 4.3
122.0 1.6
123.0 1.5
131.0 4.0
135.0 79.8
136.0 100.0
137.0 8.9
138.0 1.0
147.0 7.8
148.0 1.8
149.0 7.3
150.0 1.4
163.0 2.8
175.0 2.5
191.0 1.1
192.0 60.4
193.0 8.2