3-苯基戊二酸(4165-96-2)核磁图(1HNMR)
InChI:InChI=1S/C11H12O4/c12-10(13)6-9(7-11(14)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)
InChIKey: RZOKZOYSUCSPDF-UHFFFAOYSA-N
Smiles:C(O)(=O)CC(C1=CC=CC=C1)CC(O)=O
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![图谱](https://www.chemicalbook.com/Spectrum/4165-96-2_MS.gif)
Mass
MS-NW-6904
3-phenylglutaric acid
C11H12O4 (Mass of molecular ion: 208)
Source Temperature: 220 °C
Sample Temperature: 110 °C
Direct, 75 eV
18.0 1.0
27.0 5.0
29.0 1.4
31.0 1.1
38.0 1.2
39.0 11.5
40.0 1.1
41.0 4.7
42.0 2.6
43.0 6.0
45.0 6.0
50.0 5.6
51.0 15.1
52.0 3.8
53.0 2.2
54.0 1.1
55.0 1.3
56.0 1.1
57.5 1.0
58.0 1.3
60.0 1.6
62.0 1.5
63.0 5.4
64.0 1.2
65.0 6.1
74.0 2.3
75.0 2.3
76.0 2.8
77.0 28.8
78.0 23.5
79.0 26.8
80.0 2.0
82.0 10.4
89.0 2.8
91.0 17.1
92.0 25.3
93.0 2.3
102.0 4.6
103.0 24.6
104.0 49.6
105.0 20.5
106.0 2.9
107.0 44.1
108.0 3.7
115.0 10.9
116.0 4.3
117.0 12.2
118.0 4.1
119.0 1.0
120.0 1.2
121.0 1.9
131.0 7.9
132.0 1.1
133.0 7.4
134.0 54.2
135.0 6.0
144.0 1.1
145.0 1.2
147.0 3.2
148.0 1.9
149.0 2.4
161.0 1.2
162.0 100.0
163.0 11.4
164.0 1.6
185.0 1.4
186.0 4.3
190.0 27.1
191.0 5.2
208.0 12.1
209.0 1.7