6-Chloronicotinic acid(5326-23-8) Raman
Product Name6-Chloronicotinic acid
CAS5326-23-8
Molecular FormulaC6H4ClNO2
Molecular Weight157.55
InChIInChI=1S/C6H4ClNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H,9,10)
InChIKey UAWMVMPAYRWUFX-UHFFFAOYSA-N
SmilesC1=NC(Cl)=CC=C1C(O)=O
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MassMS-NW-7173 6-chloronicotinic acid C6H4ClNO2 (Mass of molecular ion: 157)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
17.0 2.0 18.0 8.2 25.0 1.0 26.0 3.4 27.0 2.0 28.0 3.2 36.0 1.1 37.0 3.6 38.0 5.6 38.5 2.2 39.0 4.8 45.0 8.3 47.0 1.0 48.0 1.3 49.0 6.5 50.0 25.0 51.0 19.0 52.0 5.4 52.5 1.4 53.0 3.4 56.0 2.5 60.0 2.3 61.0 1.2 62.0 2.1 66.0 2.6 70.0 1.0 73.0 1.3 74.0 1.1 75.0 6.0 76.0 17.7 77.0 5.3 78.0 9.8 84.0 1.5 85.0 11.1 86.0 1.8 87.0 3.8 94.0 3.5 104.0 1.3 111.0 7.6 112.0 32.6 113.0 4.7 114.0 11.0 122.0 5.4 129.0 1.0 139.0 44.6 140.0 50.6 141.0 17.8 142.0 16.7 143.0 1.3 157.0 100.0 158.0 7.2 159.0 32.7 160.0 2.4
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C6 H4 Cl N O2 0.039 g : 0.5 ml DMSO-d6 6-chloronicotinic acid 
Assign. Shift(ppm)
A 8.912 B 8.311 C 7.677 J(A,B)=2.4HZ J(A,C)=0.6HZ J(B,C)=8.2HZ
Hz ppm Int.3563.23 8.916 943 3562.62 8.915 982 3560.79 8.910 989 3560.18 8.909 932 3553.77 8.893 24 3332.52 8.339 23 3327.18 8.326 775 3324.74 8.320 744 3321.99 8.313 65 3318.94 8.305 820 3316.50 8.299 801 3072.66 7.689 1000 3072.05 7.687 962 3068.24 7.678 47 3064.42 7.668 917 3063.81 7.667 920
KBr disc
nujol mull
