Pralidoxime Chloride(51-15-0) IR1
Product NamePralidoxime Chloride
CAS51-15-0
Molecular FormulaC7H9ClN2O
Molecular Weight172.61
InChIInChI=1S/C7H8N2O.ClH/c1-9-5-3-2-4-7(9)6-8-10;/h2-6H,1H3;1H
InChIKey HIGSLXSBYYMVKI-UHFFFAOYSA-N
SmilesC1(/C=N/O)C=CC=C[N+]=1C.[Cl-]
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MassMS-NW-8736 2-hydroxyiminomethyl-1-methylpyridinium chloride C6H6N2O CH3Cl (Mass of molecular ion: 172)
Source Temperature: 230 °C Sample Temperature: 170 °C Direct, 75 eV
15.0 4.3 17.0 5.5 18.0 29.2 26.0 5.8 27.0 26.9 28.0 7.4 30.0 1.1 35.0 6.2 36.0 82.0 37.0 3.9 38.0 28.3 39.0 12.1 40.0 2.9 41.0 5.4 42.0 8.5 43.0 1.3 44.0 1.6 49.0 2.2 50.0 17.1 51.0 20.4 52.0 15.0 53.0 6.9 54.0 2.1 55.0 1.8 59.0 1.1 59.5 1.7 61.0 1.3 62.0 2.2 63.0 6.9 64.0 9.8 65.0 18.4 66.0 8.2 67.0 3.7 68.0 1.4 75.0 3.5 76.0 8.4 77.0 38.2 78.0 74.5 79.0 21.2 80.0 7.0 81.0 6.1 90.0 4.9 91.0 8.2 92.0 28.9 93.0 10.4 94.0 3.2 103.0 6.0 104.0 65.0 105.0 8.2 106.0 5.7 107.0 10.5 108.0 2.4 109.0 17.9 110.0 1.5 117.0 4.2 118.0 42.2 119.0 100.0 120.0 13.8 121.0 3.7 122.0 7.3 129.0 1.0 131.0 2.1 132.0 6.6 133.0 1.0 135.0 6.0 136.0 38.9 137.0 6.4 138.0 2.1 144.0 1.9 193.0 1.1 194.0 1.4 195.0 1.2 208.0 2.5 209.0 1.6
400 MHz in D2O
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1H NMR 399.65 MHz C7 H9 Cl N2 O 0.036 g : 0.5 ml D2O 2-hydroxyiminomethyl-1-methylpyridinium chloride 
Assign. Shift(ppm)
A 8.818 B 8.730 C 8.543 D 8.427 E 8.039 F 4.444
Hz ppm Int.3527.83 8.828 111 3527.34 8.827 109 3521.61 8.812 116 3521.00 8.811 114 3489.01 8.731 390 3423.46 8.567 47 3422.97 8.565 48 3415.28 8.546 113 3407.59 8.527 71 3407.10 8.526 72 3372.19 8.438 111 3370.97 8.435 124 3364.01 8.418 83 3362.79 8.415 88 3220.70 8.059 56 3219.24 8.056 60 3214.36 8.043 64 3213.01 8.040 107 3206.67 8.024 52 3205.32 8.021 54 1776.00 4.444 1000
in D2O
KBr disc
nujol mull
