Product Name6-Chloronicotinamide
CAS6271-78-9
Molecular FormulaC6H5ClN2O
Molecular Weight156.57
InChIInChI=1S/C6H5ClN2O/c7-5-2-1-4(3-9-5)6(8)10/h1-3H,(H2,8,10)
InChIKey ZIJAZUBWHAZHPL-UHFFFAOYSA-N
SmilesC1=NC(Cl)=CC=C1C(N)=O
Mass
MS-NW-8232 6-chloronicotinamide C6H5ClN2O (Mass of molecular ion: 156)
Source Temperature: 170 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 1.2 26.0 1.8 28.0 3.2 37.0 1.5 38.0 2.4 39.0 1.3 44.0 13.2 49.0 2.9 50.0 16.1 51.0 10.1 52.0 3.3 53.0 2.0 60.0 1.3 62.0 1.7 64.0 1.1 75.0 4.0 76.0 19.3 77.0 6.0 78.0 7.9 85.0 14.0 86.0 1.5 87.0 4.6 111.0 2.3 112.0 47.6 113.0 4.2 114.0 15.5 115.0 1.1 128.0 3.0 130.0 1.0 139.0 4.3 140.0 100.0 141.0 8.4 142.0 32.4 143.0 2.3 156.0 78.0 157.0 6.7 158.0 25.4 159.0 2.2
400 MHz in DMSO-d6
in DMSO-d6
1H NMR | 399.65 MHz |
C6 H5 Cl N2 O | 0.039 g : 0.5 ml DMSO-d6 |
6-chloronicotinamide |
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Assign. Shift(ppm) |
Hz ppm Int.
3559.11 8.906 908 3558.35 8.904 954 3556.67 8.900 930 3555.91 8.898 911 3320.47 8.309 836 3318.02 8.303 818 3312.23 8.288 960 3309.63 8.282 1000 3306.73 8.275 286 3098.60 7.754 271 3066.25 7.673 946 3065.64 7.671 996 3058.01 7.652 934 3057.25 7.650 933
in DMSO-d6
KBr disk
Nujol
6-Chloronicotinamide(6271-78-9) Raman Atlas of Related Products
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