2,5-PYRIDINEDICARBOXYLIC ACID(100-26-5) IR2
Product Name2,5-PYRIDINEDICARBOXYLIC ACID
CAS100-26-5
Molecular FormulaC7H5NO4
Molecular Weight167.12
InChIInChI=1S/C7H5NO4/c9-6(10)4-1-2-5(7(11)12)8-3-4/h1-3H,(H,9,10)(H,11,12)
InChIKey LVPMIMZXDYBCDF-UHFFFAOYSA-N
SmilesC1(C(O)=O)=NC=C(C(O)=O)C=C1
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MassMS-NW-1790 2,5-pyridinedicarboxylic acid C7H5NO4 (Mass of molecular ion: 167)
Source Temperature: 210 °C Sample Temperature: 180 °C Direct, 75 eV
16.0 1.1 17.0 1.0 18.0 4.6 26.0 5.1 27.0 5.8 28.0 6.2 29.0 1.3 37.0 2.8 38.0 5.0 38.5 2.6 39.0 9.1 40.0 2.0 41.0 2.0 43.0 1.2 44.0 20.0 45.0 13.5 49.0 4.5 50.0 20.6 51.0 34.5 52.0 14.2 52.5 1.0 53.0 4.9 55.0 1.2 57.0 1.0 65.0 1.2 66.0 3.7 67.0 3.7 68.0 4.9 75.0 3.4 76.0 6.2 77.0 21.4 78.0 30.1 79.0 4.7 94.0 6.1 95.0 1.3 96.0 3.3 104.0 1.1 105.0 14.0 106.0 8.6 121.0 1.0 122.0 9.3 123.0 100.0 124.0 7.2 150.0 2.1
90 MHz in DMSO-d6
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1H NMR 89.56 MHz C7 H5 N O4 0.038 g : 0.5 ml DMSO-d6 2,5-pyridinedicarboxylic acid 
Assign. Shift(ppm)
A 13. B 9.185 C 8.449 D 8.182 J(B,C)=2.1HZ J(B,D)=0.8HZ J(C,D)=8.1HZ
Hz ppm Int.824.16 9.203 783 823.30 9.193 858 822.02 9.179 956 821.25 9.170 749 762.98 8.520 491 760.84 8.496 436 758.28 8.467 65 754.86 8.429 835 752.81 8.406 808 736.15 8.220 1000 735.38 8.212 910 732.30 8.177 73 731.45 8.168 69 728.11 8.130 573 727.26 8.121 527
KBr disc
nujol mull
UV IRRAD. OF NA SALT IN H2O RICH MIXED SOLV.
