3-CHLOROBENZAMIDE(618-48-4) IR2
Product Name3-CHLOROBENZAMIDE
CAS618-48-4
Molecular FormulaC7H6ClNO
Molecular Weight155.58
InChIInChI=1S/C7H6ClNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)
InChIKey MJTGQALMWUUPQM-UHFFFAOYSA-N
SmilesC(N)(=O)C1=CC=CC(Cl)=C1
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MassMS-NW-0261 m-chlorobenzamide C7H6ClNO (Mass of molecular ion: 155)
Source Temperature: 150 °C Sample Temperature: 0 °C Direct, 75 eV
18.0 1.0 37.0 1.6 38.0 2.5 39.0 1.1 44.0 8.1 49.0 1.2 50.0 11.0 51.0 6.3 61.0 1.0 63.0 1.0 63.5 1.5 65.0 1.1 73.0 1.9 74.0 7.1 75.0 22.1 76.0 6.6 77.0 5.2 84.0 1.0 85.0 2.5 110.0 1.1 111.0 48.3 112.0 5.3 113.0 15.6 114.0 1.5 139.0 100.0 140.0 8.0 141.0 32.3 142.0 2.6 155.0 72.3 156.0 6.0 157.0 23.5 158.0 1.9
90 MHz in DMSO-d6
400 MHz in DMSO-d6
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1H NMR 89.56 MHz C7 H6 Cl N O 0.035 g : 0.5 ml DMSO-d6 m-chlorobenzamide 
Assign. Shift(ppm)
A *1 8.09 B 7.93 C 7.86 D 7.59 E *1 7.54 F 7.52
Hz ppm Int.724.69 8.092 141 716.44 8.000 77 715.69 7.992 77 714.63 7.980 96 712.56 7.957 245 711.00 7.939 588 710.38 7.932 512 709.00 7.917 707 708.38 7.910 456 707.19 7.897 395 705.25 7.875 182 704.06 7.862 95 702.31 7.842 327 700.88 7.826 336 700.31 7.820 402 698.69 7.802 286 696.81 7.781 66 696.31 7.775 56 695.88 7.770 53 694.56 7.756 50 694.44 7.754 50 693.75 7.747 51 693.38 7.743 48 692.94 7.738 50 692.50 7.733 45 691.88 7.726 47 691.56 7.722 47 690.69 7.713 50 690.19 7.707 51 688.81 7.692 59 687.94 7.682 95 687.31 7.675 73 685.94 7.660 194 683.88 7.637 173 679.94 7.593 604 678.06 7.572 1000 676.69 7.556 680 676.00 7.549 504 674.63 7.533 207 673.94 7.526 192 672.69 7.512 186 670.81 7.491 430 670.19 7.484 415 668.88 7.469 160 666.69 7.445 77 666.25 7.440 69 665.63 7.433 63 664.63 7.422 59 664.25 7.417 54 663.94 7.414 60 662.88 7.402 127 662.31 7.396 113
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1H NMR 399.65 MHz C7 H6 Cl N O 0.040 g : 0.5 ml DMSO-d6 m-chlorobenzamide Assign. Shift(ppm)
A *1 8.16 B 7.957 C 7.881 D 7.62 E *1 7.60 F 7.521
Hz ppm Int.3260.86 8.160 300 3182.50 7.964 604 3180.66 7.959 1000 3178.96 7.955 661 3154.91 7.895 401 3153.81 7.892 535 3152.22 7.888 388 3147.22 7.875 448 3146.00 7.872 568 3144.53 7.869 414 3048.95 7.630 376 3047.85 7.627 439 3046.88 7.624 410 3045.78 7.622 420 3040.89 7.609 755 3039.92 7.607 809 3038.82 7.604 849 3037.72 7.601 738 3012.82 7.539 685 3005.00 7.520 996 2997.19 7.500 418
DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
