4-Chlorobenzamide(619-56-7) IR2
Product Name4-Chlorobenzamide
CAS619-56-7
Molecular FormulaC7H6ClNO
Molecular Weight155.58
InChIInChI=1S/C7H6ClNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
InChIKey BLNVISNJTIRAHF-UHFFFAOYSA-N
SmilesC(N)(=O)C1=CC=C(Cl)C=C1
-
MassMS-NW-0202 p-chlorobenzamide C7H6ClNO (Mass of molecular ion: 155)
Source Temperature: 180 °C Sample Temperature: 0 °C Direct, 75 eV
16.0 3.8 26.0 1.9 27.0 2.5 28.0 2.3 35.0 1.2 37.0 8.5 37.5 1.2 38.0 10.5 39.0 4.5 41.0 1.3 43.0 2.1 44.0 29.0 46.0 1.6 47.0 1.2 49.0 6.2 50.0 48.3 51.0 22.1 52.0 3.7 53.0 2.4 60.0 1.4 61.0 3.9 62.0 3.5 63.0 4.5 63.5 2.6 64.0 1.5 65.0 3.2 72.0 1.6 73.0 9.4 74.0 34.7 75.0 70.7 76.0 20.2 77.0 9.6 84.0 3.8 85.0 8.4 86.0 1.8 87.0 2.9 90.0 1.0 99.0 2.4 101.0 1.0 102.0 1.0 103.0 1.8 104.0 4.8 109.0 1.4 110.0 3.0 111.0 69.1 112.0 7.2 113.0 22.9 114.0 2.0 126.0 1.0 138.0 1.3 139.0 100.0 140.0 8.3 141.0 31.9 142.0 2.6 155.0 56.3 156.0 5.4 157.0 18.8 158.0 1.8 173.0 1.7 175.0 1.1
400 MHz in DMSO-d6
90 MHz in DMSO-d6
-
1H NMR 399.65 MHz C7 H6 Cl N O 0.041 g : 0.5 ml DMSO-d6 p-chlorobenzamide 
Assign. Shift(ppm)
A *1 8.11 B 7.935 C 7.546 D *1 7.54
Hz ppm Int.3242.31 8.113 159 3178.10 7.953 130 3175.66 7.947 849 3173.71 7.942 267 3168.95 7.930 306 3167.11 7.925 874 3164.43 7.919 112 3020.14 7.557 1000 3018.19 7.553 323 3013.43 7.541 415 3011.72 7.536 946
-
1H NMR 89.56 MHz C7 H6 Cl N O 0.039 g : 0.5 ml DMSO-d6 p-chlorobenzamide Assign. Shift(ppm)
A *1 8.1 B 7.92 C 7.53 D *1 7.5 J(B,C)=8.6HZ
Hz ppm Int.723.06 8.074 126 716.63 8.002 147 714.31 7.976 624 712.38 7.955 227 710.50 7.934 82 707.75 7.903 325 705.69 7.880 943 703.44 7.855 164 680.50 7.599 213 678.44 7.576 1000 676.44 7.553 312 674.75 7.535 141 671.69 7.500 365 669.88 7.480 721 668.00 7.459 164 667.56 7.454 168 665.13 7.427 79 664.69 7.422 73 663.94 7.414 63
KBr disc
nujol mull
4880 A,200 M,powder
