2-HYDROXY-6-METHYLPYRIDINE(91914-07-7) MS
Product Name2-HYDROXY-6-METHYLPYRIDINE
CAS91914-07-7
Molecular FormulaC6H7NO
Molecular Weight109.13
InChIInChI=1S/C6H7NO/c1-5-3-2-4-6(8)7-5/h2-4H,1H3,(H,7,8)
InChIKey JEAVIRYCMBDJIU-UHFFFAOYSA-N
SmilesC1(O)=NC(C)=CC=C1
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MassMS-KW-0404 6-methyl-2-pyridone C6H7NO (Mass of molecular ion: 109)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.8 17.0 1.0 18.0 5.5 26.0 1.5 27.0 4.7 28.0 4.4 37.0 2.6 38.0 6.8 39.0 25.7 40.0 4.4 40.5 2.6 41.0 4.4 42.0 14.9 47.0 1.4 50.0 2.0 51.0 3.1 52.0 3.6 53.0 8.6 54.0 2.5 54.5 2.5 55.0 1.0 62.0 1.0 63.0 2.5 64.0 4.1 65.0 3.3 66.0 10.8 67.0 1.1 68.0 1.2 79.0 1.0 80.0 51.1 81.0 24.1 82.0 1.5 91.0 3.4 94.0 2.7 109.0 100.0 110.0 7.4
parameter in CDCl3
90 MHz in CDCl3
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1H NMR 300 MHz C6 H7 N O in CDCl3 6-methyl-2-pyridone 
Parameter ppm Hz
D(A) 6.35 D(B) 7.32 D(C) 5.98 D(D) 2.33 J(A,B) 9.1 J(A,C) 1.0 J(A,D) 0.5 J(B,C) 6.9 J(B,D) 0.2 J(C,D) 1.0 D(E) 13.28 BELL,C.L. ET AL. J.HETEROCYCL.CHEM. 2, 420 (1965) J(B,D) : LESS THAN 0.2HZ.
Hz ppm Int.3984.03 13.280 726 2204.11 7.347 149 2197.24 7.324 160 2195.11 7.317 164 2188.24 7.294 164 1909.78 6.366 175 1909.38 6.365 174 1900.38 6.335 173 1798.40 5.995 118 1797.39 5.991 164 1796.48 5.988 119 1791.52 5.972 115 1790.61 5.969 159 1789.60 5.965 114 699.21 2.331 1000 698.81 2.329 999
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1H NMR 89.56 MHz C6 H7 N O 0.040 g : 0.5 ml CDCl3 6-methyl-2-pyridone Assign. Shift(ppm)
A 13.51 B 7.356 C 6.408 D 6.053 E 2.364 J(B,C)=9.0HZ. J(B,D)=6.8HZ.
Hz ppm Int.1210.06 13.512 67 1204.49 13.449 24 667.38 7.452 115 660.64 7.377 136 658.30 7.351 148 656.45 7.330 26 651.46 7.275 157 578.03 6.455 151 569.04 6.354 123 545.41 6.090 141 539.36 6.023 95 538.57 6.014 125 211.82 2.366 1000 204.00 2.278 23
in CDCl3
KBr disc
nujol mull
