2-Chloronicotinamide(10366-35-5) 1H NMR
Product Name2-Chloronicotinamide
CAS10366-35-5
Molecular FormulaC6H5ClN2O
Molecular Weight156.57
InChIInChI=1S/C6H5ClN2O/c7-5-4(6(8)10)2-1-3-9-5/h1-3H,(H2,8,10)
InChIKey ZQZAHPFFZWEUCL-UHFFFAOYSA-N
SmilesC1(Cl)=NC=CC=C1C(N)=O
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MassMS-IW-7590 2-chloronicotinamide C6H5ClN2O (Mass of molecular ion: 156)
Source Temperature: 150 °C Sample Temperature: 140 °C Direct, 75 eV
18.0 1.9 26.0 1.7 28.0 1.7 37.0 1.2 38.0 1.8 39.0 2.1 44.0 9.0 49.0 2.3 50.0 10.9 51.0 9.7 52.0 2.8 62.0 1.6 66.0 1.3 75.0 3.3 76.0 20.7 77.0 7.1 78.0 12.1 84.0 1.4 85.0 5.8 86.0 1.6 87.0 2.2 91.0 1.3 93.0 1.0 103.0 8.7 104.0 1.1 112.0 42.9 113.0 7.6 114.0 14.2 115.0 2.4 138.0 8.1 140.0 100.0 141.0 6.9 142.0 32.2 143.0 2.1 156.0 87.7 157.0 6.6 158.0 28.7 159.0 2.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C6 H5 Cl N2 O 0.039 g : 0.5 ml DMSO-d6 2-chloronicotinamide 
Assign. Shift(ppm)
A 8.460 B *1 8.06 C 7.910 D *1 7.78 E 7.486
Hz ppm Int.
3384.64 8.470 841 3382.69 8.465 928 3379.76 8.457 917 3377.81 8.452 898 3373.54 8.442 35 3372.68 8.440 30 3370.85 8.435 24 3221.92 8.062 370 3166.26 7.923 870 3164.31 7.918 895 3161.50 7.911 90 3158.81 7.904 1000 3156.86 7.900 952 3152.10 7.888 36 3108.03 7.777 375 2998.05 7.502 940 2993.29 7.490 902 2990.48 7.483 865 2985.72 7.471 855
DMSO-d6
KBr disc
nujol mull
