PYRITHYLDIONE(77-04-3) MS
Product NamePYRITHYLDIONE
CAS77-04-3
Molecular FormulaC9H13NO2
Molecular Weight167.21
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MassMS-NW-9045 3,3-diethyl-2,4(1H,3H)-pyridinedione C9H13NO2 (Mass of molecular ion: 167)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 1.1 27.0 5.1 28.0 5.3 29.0 6.9 39.0 6.1 40.0 3.3 41.0 13.7 42.0 6.5 43.0 2.1 53.0 4.0 54.0 1.6 55.0 38.4 56.0 2.1 65.0 1.6 67.0 2.2 68.0 2.7 69.0 6.9 70.0 48.6 71.0 2.1 82.0 1.1 83.0 95.8 84.0 5.3 92.0 1.0 96.0 4.1 97.0 4.4 98.0 82.8 99.0 5.5 120.0 1.8 124.0 12.8 125.0 1.0 138.0 11.8 139.0 100.0 140.0 8.2 150.0 3.0 152.0 27.9 153.0 2.7 167.0 12.2 168.0 1.4
parameter in CDCl3
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1H NMR 300 MHz C9 H13 N O2 2 M in CDCl3 3,3-diethyl-2,4(1H,3H)-pyridinedione 
Parameter ppm Hz
D(A) 7.30 D(B) 5.64 D(C) 9.55 J(A,B) 8.0 J(A,C) 6.0 J(B,C) 1.3 D(D) 1.98 D(E) 0.85 J(D,E) 7.5 OSTERCAMP,D.L. J.ORG.CHEM. 30, 1169 (1965)
Hz ppm Int.2868.66 9.562 93 2867.45 9.558 93 2862.70 9.542 94 2861.41 9.538 94 2197.04 7.323 86 2190.99 7.303 88 2189.13 7.297 92 2183.09 7.277 87 1696.58 5.655 95 1695.37 5.651 95 1688.60 5.629 92 1687.39 5.625 92 605.37 2.018 138 597.87 1.993 455 590.37 1.968 490 582.95 1.943 170 262.38 0.875 501 254.96 0.850 1000 247.46 0.825 443
in CDCl3
KBr disc
nujol mull
