2-苯基苯甲酸(947-84-2)质谱(MS)
InChI:InChI=1S/C13H10O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H,14,15)
InChIKey: ILYSAKHOYBPSPC-UHFFFAOYSA-N
Smiles:C1(C2=CC=CC=C2)=CC=CC=C1C(O)=O
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Mass
MS-NW-6274
2-biphenylcarboxylic acid
C13H10O2 (Mass of molecular ion: 198)
Source Temperature: 280 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
17.0 1.3
18.0 5.2
27.0 1.5
38.0 1.2
39.0 4.8
44.0 2.1
45.0 1.1
50.0 4.3
51.0 7.2
52.0 1.7
61.0 1.2
62.0 2.5
63.0 6.7
64.0 1.4
65.0 2.7
70.0 1.5
71.0 1.2
74.0 4.5
75.0 5.1
75.5 2.5
76.0 14.7
76.5 2.9
77.0 8.1
78.0 1.6
84.0 1.9
86.0 1.6
87.0 2.1
89.0 1.8
90.5 3.0
91.0 1.7
92.0 1.9
93.0 1.3
94.0 6.7
98.0 1.9
99.0 4.0
101.0 2.0
102.0 2.5
104.0 1.9
105.0 2.0
106.0 1.7
113.0 1.0
115.0 6.1
122.0 2.1
123.0 8.1
125.0 1.0
126.0 5.0
127.0 4.5
128.0 1.2
139.0 2.6
141.0 6.1
142.0 2.3
150.0 4.3
151.0 13.0
152.0 42.5
153.0 32.6
154.0 7.6
155.0 1.1
168.0 1.1
169.0 3.0
170.0 1.5
180.0 6.8
181.0 78.5
182.0 11.7
183.0 1.2
197.0 42.9
198.0 100.0
199.0 14.5
200.0 1.6
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C13 H10 O2
|
0.040 g : 0.5 ml CDCl3
|
| 2-biphenylcarboxylic acid
|
 |
Assign. Shift(ppm)
A 11.0
B 7.927
C 7.532
D 7.39
E 7.35
F 7.38 to 7.30
|
Hz ppm Int.
3172.63 7.939 241
3171.16 7.935 262
3164.75 7.919 259
3163.47 7.916 270
3018.77 7.554 138
3017.30 7.550 147
3013.46 7.541 34
3011.26 7.535 313
3009.79 7.532 322
3003.56 7.516 226
3002.10 7.512 213
2962.72 7.414 203
2961.44 7.411 234
2958.87 7.404 44
2955.21 7.395 311
2953.93 7.392 351
2952.28 7.388 129
2950.81 7.384 88
2949.71 7.381 157
2947.52 7.376 217
2946.23 7.373 259
2945.13 7.370 253
2942.94 7.364 280
2941.10 7.360 532
2939.82 7.356 460
2937.81 7.351 326
2936.53 7.348 617
2935.79 7.346 644
2933.41 7.340 550
2932.13 7.337 634
2928.10 7.327 1000
2926.63 7.323 469
2924.25 7.318 195
2921.87 7.312 255
2920.77 7.309 242
2920.22 7.307 231
2919.12 7.305 203
2918.03 7.302 146
2916.38 7.298 52
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| 1H NMR |
89.56 MHz |
| C13 H10 O2
|
0.044 g : 0.5 ml CDCl3
|
| 2-biphenylcarboxylic acid
|
|
Assign. Shift(ppm)
A 11.49
B 7.925
C 7.51
D 7.38
E 7.35
F 7.34
C,D AND E WERE CONFIRMED BY LAOCN PROGRAM.
400MHZ : HSP-41-746
|
Hz ppm Int.
715.30 7.987 45
713.59 7.968 80
712.39 7.955 39
708.80 7.915 39
707.60 7.901 52
706.32 7.887 79
705.55 7.878 86
676.59 7.555 81
673.25 7.518 53
669.75 7.479 140
668.98 7.470 77
667.70 7.456 117
666.67 7.444 136
661.55 7.387 148
660.52 7.376 185
659.92 7.369 182
659.16 7.360 163
656.93 7.336 1000
654.71 7.311 126
654.37 7.307 134
653.69 7.299 90
652.40 7.285 55
651.55 7.276 62