Product Name3,5-Pyridinedicarboxylic acid
CAS499-81-0
Molecular FormulaC7H5NO4
Molecular Weight167.12
InChIInChI=1S/C7H5NO4/c9-6(10)4-1-5(7(11)12)3-8-2-4/h1-3H,(H,9,10)(H,11,12)
InChIKey MPFLRYZEEAQMLQ-UHFFFAOYSA-N
SmilesC1=NC=C(C(O)=O)C=C1C(O)=O
Mass
MS-NW-1794 3,5-pyridinedicarboxylic acid C7H5NO4 (Mass of molecular ion: 167)
Source Temperature: 220 °C Sample Temperature: 190 °C Direct, 75 eV
17.0 1.0 18.0 4.6 25.0 1.0 26.0 2.6 27.0 3.4 28.0 9.7 29.0 2.3 32.0 1.0 37.0 3.7 38.0 7.4 38.5 3.8 39.0 13.6 40.0 1.7 41.0 1.3 44.0 3.6 45.0 17.9 49.0 7.6 50.0 31.6 51.0 26.1 52.0 7.5 52.5 1.1 53.0 6.8 55.0 1.1 65.0 8.7 66.0 7.5 67.0 4.9 75.0 3.4 76.0 9.7 77.0 11.8 78.0 9.6 79.0 1.4 92.0 1.4 93.0 4.6 94.0 17.3 95.0 1.7 104.0 11.6 105.0 3.0 106.0 1.4 119.0 1.2 121.0 17.3 122.0 31.1 123.0 3.5 137.0 3.1 138.0 1.1 149.0 60.6 150.0 28.1 151.0 2.5 167.0 100.0 168.0 8.6 169.0 1.2
400MHZ in DMSO-d6
in DMSO-d6
KBr disc
nujol mull
4880 A,100M,powder
3,5-Pyridinedicarboxylic acid(499-81-0) Raman Atlas of Related Products
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