Quinolinic acid(89-00-9) 1H NMR
Product NameQuinolinic acid
CAS89-00-9
Molecular FormulaC7H5NO4
Molecular Weight167.12
InChIInChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)
InChIKey GJAWHXHKYYXBSV-UHFFFAOYSA-N
SmilesC1(C(O)=O)=NC=CC=C1C(O)=O
-
MassMS-NW-1795 2,3-pyridinedicarboxylic acid C7H5NO4 (Mass of molecular ion: 167)
Source Temperature: 220 °C Sample Temperature: 140 °C Direct, 75 eV
12.0 1.3 16.0 1.6 18.0 1.6 25.0 1.2 26.0 6.9 27.0 3.8 28.0 8.0 29.0 1.9 37.0 4.5 38.0 5.3 38.5 1.2 39.0 11.4 40.0 2.1 41.0 1.6 44.0 27.9 45.0 9.7 48.0 1.1 49.0 7.4 50.0 27.5 51.0 33.6 52.0 26.8 53.0 5.3 66.0 4.2 67.0 3.8 68.0 1.2 75.0 4.8 76.0 7.8 77.0 34.6 78.0 36.0 79.0 42.0 80.0 2.5 94.0 5.3 95.0 1.6 105.0 47.9 106.0 20.2 107.0 1.4 122.0 1.0 123.0 100.0 124.0 7.5
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C7 H5 N O4 0.042 g : 0.5 ml DMSO-d6 2,3-pyridinedicarboxylic acid 
Assign. Shift(ppm)
A 14. B 8.762 C 8.268 D 7.640
Hz ppm Int.3505.37 8.772 831 3503.66 8.767 991 3500.49 8.759 1000 3498.78 8.755 964 3494.63 8.745 25 3309.57 8.282 922 3307.86 8.277 885 3304.69 8.269 60 3301.76 8.262 968 3300.05 8.258 973 3059.81 7.657 939 3054.93 7.645 827 3052.00 7.637 853 3047.12 7.625 919
KBr disc
nujol mull
UV IRRAD. OF NA SALT IN H2O RICH MIXED SOLV.
