苯可丁酸乙酸酯(91-48-5)紅外圖譜(IR1)
InChI:InChI=1S/C15H12O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H,(H,16,17)/b14-11+
InChIKey: BIDDLDNGQCUOJQ-SDNWHVSQSA-N
Smiles:C(/C1C=CC=CC=1)(\C(=O)O)=C/C1C=CC=CC=1
-
Mass
MS-NW-8093
(E)-alpha-phenylcinnamic acid
C15H12O2 (Mass of molecular ion: 224)
Source Temperature: 180 °C
Sample Temperature: 150 °C
Direct, 75 eV
17.0 1.1
18.0 5.3
27.0 1.9
28.0 1.3
39.0 4.7
44.0 1.2
50.0 4.3
51.0 14.3
52.0 2.6
62.0 2.0
63.0 6.4
65.0 2.2
74.0 3.6
75.0 5.0
76.0 14.1
76.5 1.6
77.0 13.4
78.0 3.0
79.0 13.8
82.0 1.1
82.5 1.4
83.0 1.9
86.0 1.2
87.0 2.0
88.0 6.1
88.5 2.0
89.0 17.0
89.5 2.6
90.0 19.6
91.0 6.4
92.0 1.8
94.0 1.1
98.0 1.4
101.0 1.7
102.0 6.1
103.0 3.0
105.0 2.3
107.0 15.1
108.0 1.2
113.0 1.0
115.0 2.0
118.0 37.8
119.0 3.8
126.0 2.6
127.0 1.7
128.0 1.5
139.0 2.5
150.0 3.1
151.0 7.4
152.0 13.5
153.0 2.9
165.0 7.0
166.0 1.5
167.0 2.6
175.0 1.4
176.0 13.4
177.0 13.6
178.0 71.0
179.0 100.0
180.0 18.6
181.0 2.2
205.0 8.7
206.0 5.4
207.0 1.9
209.0 1.2
223.0 5.3
224.0 92.3
225.0 15.9
226.0 1.7