苯并呋喃-2-羧酸(496-41-3)Raman光譜
InChI:InChI=1S/C9H6O3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)
InChIKey: OFFSPAZVIVZPHU-UHFFFAOYSA-N
Smiles:O1C2=CC=CC=C2C=C1C(O)=O
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Mass
MS-KW-0265
2-benzofurancarboxylic acid
C9H6O3 (Mass of molecular ion: 162)
Source Temperature: 230 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
18.0 1.3
28.0 2.8
37.0 1.5
38.0 2.6
39.0 9.1
43.0 2.3
44.0 3.6
44.5 5.0
45.0 3.3
50.0 3.3
51.0 4.0
52.0 1.0
53.0 1.3
58.5 1.0
61.0 2.5
62.0 7.9
63.0 16.3
64.0 3.0
67.0 4.0
72.5 1.2
77.0 3.2
78.0 9.6
86.0 1.8
87.0 2.0
88.0 2.1
89.0 28.9
90.0 11.0
105.0 2.5
106.0 1.5
118.0 7.1
134.0 6.9
145.0 38.1
146.0 3.9
162.0 100.0
163.0 10.0
164.0 1.1
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| 1H NMR |
399.65 MHz |
| C9H6O3
|
0.039 g : 0.5 ml DMSO-d6
|
| 2-benzofurancarboxylic acid
|
 |
Assign. Shift(ppm)
A 13.6
B 7.830
C 7.741
D 7.720
E 7.535
F 7.388
|
Hz ppm Int.