3-(1-氰乙基)苯甲酸(5537-71-3)紅外圖譜(IR1)
InChI:InChI=1S/C10H9NO2/c1-7(6-11)8-3-2-4-9(5-8)10(12)13/h2-5,7H,1H3,(H,12,13)
InChIKey: IRYIYPWRXROPSX-UHFFFAOYSA-N
Smiles:C(O)(=O)C1=CC=CC(C(C#N)C)=C1
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Mass
MS-IW-1547
m-(1-cyanoethyl)benzoic acid
C10H9NO2 (Mass of molecular ion: 175)
Source Temperature: 140 °C
Sample Temperature: 110 °C
Direct, 75 eV
18.0 1.4
27.0 2.7
28.0 1.5
38.0 1.5
39.0 5.5
45.0 2.2
50.0 6.1
51.0 9.3
52.0 2.1
53.0 1.3
62.0 2.7
63.0 4.5
64.0 1.7
65.0 3.4
74.0 2.6
75.0 3.8
76.0 3.8
77.0 15.9
78.0 3.9
79.0 1.2
87.0 1.3
88.0 2.7
89.0 3.0
91.0 1.5
101.0 2.1
102.0 4.3
103.0 15.7
104.0 12.9
105.0 4.9
114.0 2.9
115.0 5.6
116.0 38.1
117.0 3.8
128.0 3.0
129.0 5.9
130.0 33.2
131.0 25.4
132.0 5.2
133.0 5.1
143.0 3.4
147.0 1.1
148.0 2.3
149.0 1.3
156.0 2.1
157.0 15.8
158.0 10.2
159.0 1.1
160.0 82.4
161.0 9.0
174.0 1.9
175.0 100.0
176.0 11.6
177.0 1.0