2-Chlorobenzamide(609-66-5) IR1
Product Name2-Chlorobenzamide
CAS609-66-5
Molecular FormulaC7H6ClNO
Molecular Weight155.58
InChIInChI=1S/C7H6ClNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)
InChIKey RBGDLYUEXLWQBZ-UHFFFAOYSA-N
SmilesC(N)(=O)C1=CC=CC=C1Cl
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MassMS-NW-1879 o-chlorobenzamide C7H6ClNO (Mass of molecular ion: 155)
Source Temperature: 170 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 2.0 27.0 1.1 28.0 1.5 37.0 2.7 37.5 1.0 38.0 3.9 39.0 2.4 44.0 10.7 45.5 1.3 49.0 1.8 50.0 15.6 51.0 9.4 52.0 1.3 61.0 1.3 63.0 1.6 63.5 1.8 65.0 1.8 73.0 2.2 74.0 7.9 75.0 26.0 76.0 7.9 77.0 8.7 84.0 1.4 85.0 3.1 87.0 1.0 90.0 1.0 102.0 1.4 110.0 1.1 111.0 37.7 112.0 5.7 113.0 12.3 114.0 1.6 137.0 1.1 139.0 100.0 140.0 7.6 141.0 31.5 142.0 2.6 155.0 57.7 156.0 4.6 157.0 18.6 158.0 1.5
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C7 H6 Cl N O saturated in CDCl3 o-chlorobenzamide 
Assign. Shift(ppm)
A 7.773 B 7.42 C 7.40 D 7.35 E *1 6.56 F *1 6.42 J(A,C)=1.4HZ. J(A,D)=7.6HZ.
Hz ppm Int.3118.16 7.803 44 3116.70 7.799 59 3110.84 7.784 517 3109.62 7.781 519 3109.25 7.780 518 3103.39 7.766 585 3101.93 7.762 563 3095.21 7.745 42 2984.25 7.468 41 2983.76 7.466 42 2983.15 7.465 45 2982.18 7.462 48 2981.69 7.461 46 2981.32 7.460 49 2980.71 7.459 54 2980.35 7.458 52 2979.86 7.457 59 2979.13 7.455 67 2978.03 7.452 82 2973.27 7.440 288 2972.05 7.437 358 2969.85 7.432 182 2965.33 7.420 872 2964.11 7.417 1000 2961.43 7.411 523 2961.06 7.410 528 2955.69 7.396 657 2953.98 7.392 631 2948.00 7.377 348 2946.17 7.372 358 2943.12 7.365 495 2941.41 7.360 445 2935.79 7.346 544 2934.20 7.342 517 2928.59 7.328 238 2927.12 7.325 212 2923.83 7.316 65 2923.34 7.315 62 2922.97 7.314 56 2921.02 7.309 45 2919.92 7.307 45 2622.56 6.563 136 2564.21 6.417 132
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1H NMR 89.56 MHz C7 H6 Cl N O 0.038 g : 0.5 ml CDCl3 o-chlorobenzamide Assign. Shift(ppm)
A 7.75 B 7.60 to 7.12 C 6.5
Hz ppm Int.699.31 7.809 146 698.75 7.803 157 698.06 7.795 155 697.31 7.786 140 696.50 7.777 126 694.56 7.756 217 692.44 7.732 163 691.38 7.720 190 690.88 7.715 189 690.56 7.711 186 670.38 7.486 63 669.94 7.481 74 661.75 7.389 1000 655.88 7.324 241 655.56 7.320 242 653.06 7.292 140 652.56 7.287 146 650.94 7.269 183 583.94 6.521 86
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
