5,6-Dichloronicotinic acid(41667-95-2) IR1
Product Name5,6-Dichloronicotinic acid
CAS41667-95-2
Molecular FormulaC6H3Cl2NO2
Molecular Weight192
InChIInChI=1S/C6H3Cl2NO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H,10,11)
InChIKey RNRLTTNKVLFZJS-UHFFFAOYSA-N
SmilesC1=NC(Cl)=C(Cl)C=C1C(O)=O
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MassMS-IW-8124 5,6-dichloronicotinic acid C6H3Cl2NO2 (Mass of molecular ion: 191)
Source Temperature: 130 °C Sample Temperature: 100 °C Direct, 75 eV
17.0 2.4 18.0 12.1 28.0 1.4 37.0 1.5 38.0 1.8 45.0 4.3 49.0 3.7 50.0 7.1 51.0 2.3 53.0 1.4 55.5 1.2 60.0 1.6 62.0 2.2 64.0 1.0 73.0 4.6 74.0 2.6 75.0 6.4 76.0 11.9 77.5 1.1 84.0 5.9 85.0 5.0 86.0 3.0 87.0 2.5 100.0 1.2 110.0 14.3 111.0 3.1 112.0 9.0 113.0 1.3 114.0 1.4 119.0 1.8 121.0 1.3 128.0 1.8 138.0 1.3 145.0 4.7 146.0 25.0 147.0 4.7 148.0 16.0 149.0 1.6 150.0 2.6 156.0 1.5 162.0 1.5 163.0 2.5 164.0 1.2 165.0 1.6 173.0 39.1 174.0 46.5 175.0 28.2 176.0 29.8 177.0 5.9 178.0 5.0 191.0 100.0 192.0 7.8 193.0 65.1 194.0 4.9 195.0 10.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C6 H3 Cl2 N O2 0.040 g : 0.5 ml DMSO-d6 5,6-dichloronicotinic acid 
Assign. Shift(ppm)
A 13.9 B 8.833 C 8.440
Hz ppm Int.3534.12 8.844 26 3531.34 8.837 910 3529.21 8.831 809 3374.50 8.444 924 3372.36 8.439 1000
in DMSO-d6
KBr disc
nujol mull
