2-(4-氯苯甲酰)苯甲酸(85-56-3)红外图谱(IR1)
分子式:C14H9ClO3
分子量: 260.67
InChI:InChI=1S/C14H9ClO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18)
InChIKey: YWECCEXWKFHHQJ-UHFFFAOYSA-N
Smiles:C(O)(=O)C1=CC=CC=C1C(=O)C1=CC=C(Cl)C=C1
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Mass
MS-NW-7931
o-(p-chlorobenzoyl)benzoic acid
C14H9ClO3 (Mass of molecular ion: 260)
Source Temperature: 180 °C
Sample Temperature: 130 °C
Direct, 75 eV
18.0 2.2
28.0 1.1
39.0 6.4
44.0 4.6
50.0 10.0
51.0 8.9
53.0 1.5
63.0 2.3
65.0 13.5
74.0 4.8
75.0 20.6
75.5 1.1
76.0 12.4
77.0 8.6
85.0 1.9
93.0 8.9
94.0 1.3
104.0 7.8
105.0 15.8
106.0 1.3
110.0 1.2
111.0 36.0
112.0 5.7
113.0 12.2
114.0 1.8
121.0 6.3
139.0 100.0
140.0 8.1
141.0 32.1
142.0 2.6
149.0 58.2
150.0 7.2
151.0 4.2
152.0 9.8
153.0 3.2
181.0 62.1
182.0 9.1
186.0 1.0
214.0 1.2
215.0 4.0
216.0 8.6
217.0 2.2
218.0 2.8
243.0 2.8
260.0 33.9
261.0 5.5
262.0 11.4
263.0 1.9
400 MHz in DMSO-d6
400 MHz in CDCl3
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1H NMR |
399.65 MHz |
C14 H9 Cl O3
|
0.042 g : 0.5 ml DMSO-d6
|
o-(p-chlorobenzoyl)benzoic acid
|
|
Assign. Shift(ppm)
A 13.3
B 8.021
C 7.747
D 7.679
E 7.635
F 7.575
G 7.454
|
Hz ppm Int.
3209.63 8.032 291
3202.12 8.013 323
3105.77 7.772 158
3104.49 7.769 176
3098.26 7.753 418
3096.98 7.750 426
3090.75 7.734 319
3089.47 7.731 300
3076.65 7.699 299
3075.18 7.695 339
3072.80 7.689 41
3071.34 7.686 41
3068.95 7.680 427
3067.67 7.676 453
3061.44 7.661 218
3059.98 7.657 251
3057.23 7.650 484
3048.62 7.629 907
3030.49 7.583 1000
3021.88 7.562 533
2983.05 7.465 354
2982.32 7.463 367
2975.72 7.446 323
2974.81 7.444 320
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1H NMR |
399.65 MHz |
C14 H9 Cl O3
|
0.035 g : 0.5 ml CDCl3
|
o-(p-chlorobenzoyl)benzoic acid
|
|
Assign. Shift(ppm)
A 11.
B 8.074
C 7.667
D 7.636
E 7.573
F 7.376
G 7.350
|
Hz ppm Int.
3231.42 8.086 276
3230.87 8.085 281
3223.73 8.067 296
3223.00 8.065 294
3082.14 7.713 31
3081.41 7.711 32
3073.53 7.691 176
3072.25 7.688 188
3066.02 7.672 407
3064.74 7.669 408
3058.51 7.653 429
3056.32 7.648 840
3054.30 7.643 348
3049.54 7.631 359
3047.52 7.626 923
3045.33 7.620 206
3040.20 7.608 48
3038.55 7.604 58
3034.15 7.593 238
3032.87 7.589 250
3026.28 7.573 331
3025.18 7.570 340
3018.77 7.554 160
3017.48 7.551 154
3014.92 7.544 35
2954.29 7.393 231
2952.09 7.387 1000
2950.08 7.382 375
2945.13 7.370 357
2943.30 7.365 914
2940.92 7.359 497
2940.01 7.357 425
2933.23 7.340 347
2932.50 7.338 336