4-苯甲酰苯甲酸(611-95-0)核磁圖(13CNMR)
InChI:InChI=1S/C14H10O3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9H,(H,16,17)
InChIKey: IFQUPKAISSPFTE-UHFFFAOYSA-N
Smiles:C(O)(=O)C1=CC=C(C(=O)C2=CC=CC=C2)C=C1
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Mass
MS-NW-6278
p-benzoylbenzoic acid
C14H10O3 (Mass of molecular ion: 226)
Source Temperature: 150 °C
Sample Temperature: 120 °C
Direct, 75 eV
27.0 2.1
38.0 1.1
39.0 6.0
45.0 2.1
50.0 12.2
51.0 22.1
52.0 1.3
53.0 1.6
62.0 1.1
63.0 1.9
65.0 20.6
66.0 1.4
74.0 5.1
75.0 6.9
76.0 11.2
77.0 48.9
78.0 3.6
85.0 1.7
93.0 2.0
103.0 1.6
104.0 5.9
105.0 100.0
106.0 7.7
121.0 9.1
149.0 38.0
150.0 4.2
151.0 2.7
152.0 5.3
153.0 3.1
181.0 10.0
182.0 1.7
198.0 1.2
209.0 2.1
226.0 51.2
227.0 7.9
228.0 1.0