2-(4-Chlorobenzoyl)benzoic acid(85-56-3) IR1
Product Name2-(4-Chlorobenzoyl)benzoic acid
CAS85-56-3
Molecular FormulaC14H9ClO3
Molecular Weight260.67
InChIInChI=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
SmilesC(O)(=O)C1=CC=CC=C1C(=O)C1=CC=C(Cl)C=C1
-
MassMS-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
-
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
-
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
KBr disc
nujol mull
