4-HYDROXY-6-METHYL-3-NITRO-2-PYRIDONE(4966-90-9) MS
Product Name4-HYDROXY-6-METHYL-3-NITRO-2-PYRIDONE
CAS4966-90-9
Molecular FormulaC6H6N2O4
Molecular Weight170.12
InChIInChI=1S/C6H6N2O4/c1-3-2-4(9)5(8(11)12)6(10)7-3/h2H,1H3,(H2,7,9,10)
InChIKey QIKWTNPFTOEELW-UHFFFAOYSA-N
SmilesC1(=O)NC(C)=CC(O)=C1[N+]([O-])=O
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MassMS-IW-9555 4-hydroxy-6-methyl-3-nitro-2-pyridone C6H6N2O4 (Mass of molecular ion: 170)
Source Temperature: 170 °C Sample Temperature: 160 °C Direct, 75 eV
15.0 3.4 17.0 2.1 18.0 9.8 26.0 4.3 27.0 15.0 28.0 23.8 29.0 4.8 30.0 7.0 37.0 3.5 38.0 6.0 39.0 19.8 40.0 11.0 41.0 25.0 42.0 45.6 43.0 9.9 44.0 13.3 50.0 1.7 51.0 5.1 52.0 6.0 53.0 12.6 54.0 13.8 55.0 6.7 56.0 2.1 64.0 1.2 65.0 2.0 66.0 6.0 67.0 20.1 68.0 15.1 69.0 11.9 70.0 22.7 71.0 1.6 78.0 1.8 79.0 1.7 80.0 1.4 81.0 1.2 82.0 3.5 83.0 2.0 84.0 5.1 85.0 2.4 93.0 3.2 94.0 1.9 95.0 4.8 96.0 2.4 108.0 3.8 109.0 4.3 110.0 42.0 111.0 4.2 112.0 15.7 113.0 1.0 123.0 2.2 125.0 1.2 136.0 1.2 137.0 4.2 138.0 1.0 140.0 10.1 153.0 1.0 154.0 4.3 170.0 100.0 171.0 8.6 172.0 1.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C6 H6 N2 O4 0.037 g : 0.5 ml DMSO-d6 4-hydroxy-6-methyl-3-nitro-2-pyridone 
Assign. Shift(ppm)
A *1 12. B *1 11.9 C 5.854 D 2.177
Hz ppm Int.4752.98 11.893 57 2339.77 5.855 291 870.22 2.178 1000
in DMSO-d6
KBr disk
nujol mull
