2-Aminonicotinic acid(5345-47-1) Raman
Product Name2-Aminonicotinic acid
CAS5345-47-1
Molecular FormulaC6H6N2O2
Molecular Weight138.12
InChIInChI=1S/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10)
InChIKey KPIVDNYJNOPGBE-UHFFFAOYSA-N
SmilesC1(N)=NC=CC=C1C(O)=O
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MassMS-NW-6196 2-aminonicotinic acid C6H6N2O2 (Mass of molecular ion: 138)
Source Temperature: 160 °C Sample Temperature: 80 °C Direct, 75 eV
18.0 3.4 26.0 1.1 27.0 1.6 28.0 7.7 29.0 1.0 37.0 5.4 38.0 9.5 39.0 20.1 40.0 4.9 41.0 6.6 42.0 1.7 43.0 2.3 44.0 1.5 45.0 3.2 49.0 1.3 50.0 4.1 51.0 3.8 52.0 4.9 53.0 3.2 54.0 1.4 55.0 1.7 63.0 2.0 64.0 5.6 65.0 12.8 66.0 15.6 67.0 12.0 68.0 1.9 69.0 1.8 77.0 1.5 91.0 1.2 92.0 28.9 93.0 55.0 94.0 38.4 95.0 2.8 103.0 1.1 119.0 1.4 120.0 21.8 121.0 5.0 138.0 100.0 139.0 7.9
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C6 H6 N2 O2 saturated in DMSO-d6 2-aminonicotinic acid 
Assign. Shift(ppm)
A 8.162 B 8.033 C 6.598
Hz ppm Int.3265.26 8.171 775 3263.31 8.166 885 3260.62 8.159 853 3258.67 8.154 876 3215.70 8.047 908 3213.62 8.042 890 3207.89 8.027 1000 3205.93 8.022 916 2643.31 6.615 881 2638.55 6.603 912 2635.50 6.595 912 2630.86 6.583 883
KBr disc
nujol mull
