1-Methyl-2-pyridone(694-85-9) MS
Product Name1-Methyl-2-pyridone
CAS694-85-9
Molecular FormulaC6H7NO
Molecular Weight109.13
InChIInChI=1S/C6H7NO/c1-7-5-3-2-4-6(7)8/h2-5H,1H3
InChIKey DVVGIUUJYPYENY-UHFFFAOYSA-N
SmilesC1(=O)N(C)C=CC=C1
-
MassMS-NW-3316 1-methyl-2-pyridone C6H7NO (Mass of molecular ion: 109)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 5.3 26.0 3.6 27.0 6.7 28.0 3.5 37.0 3.1 38.0 5.9 39.0 25.9 39.5 1.3 40.0 5.0 40.5 1.2 41.0 4.1 42.0 23.5 49.0 1.7 50.0 6.2 51.0 7.8 52.0 5.7 53.0 11.4 53.5 1.2 54.0 6.8 54.5 1.2 55.0 12.3 64.0 1.7 65.0 1.3 66.0 3.8 68.0 4.6 78.0 2.2 79.0 2.1 80.0 38.3 81.0 59.9 82.0 3.8 94.0 1.4 108.0 5.1 109.0 100.0 110.0 7.3
parameter in CDCl3
90 MHz in CDCl3
-
1H NMR 300 MHz C6 H7 N O 0.65 M in CDCl3 1-methyl-2-pyridone 
Parameter ppm Hz
D(A) 6.57 D(B) 7.34 D(C) 6.17 D(D) 7.32 J(A,B) 9.12 J(A,C) 1.38 J(A,D) 0.70 J(B,C) 6.66 J(B,D) 2.07 J(C,D) 6.67 D(E) 3.59 VON OSTWALDEN,P.W. & ROBERTS,J.D. J.ORG.CHEM. 36, 3792 (1971)
Hz ppm Int.2211.14 7.370 34 2209.12 7.364 49 2204.51 7.348 37 2202.42 7.341 68 2200.36 7.335 121 2199.69 7.332 103 2198.66 7.329 50 2197.60 7.325 22 2195.75 7.319 20 2193.77 7.313 128 2192.95 7.310 102 2191.99 7.307 51 2190.93 7.303 19 1976.53 6.588 54 1975.29 6.584 78 1974.08 6.580 48 1967.73 6.559 45 1966.56 6.555 72 1965.36 6.551 51 1858.30 6.194 47 1856.95 6.190 47 1851.63 6.172 90 1850.25 6.167 87 1844.97 6.150 44 1843.62 6.145 43 1077.01 3.590 1000
-
1H NMR 89.56 MHz C6 H7 N O 0.04 ml : 0.5 ml CDCl3 1-methyl-2-pyridone Assign. Shift(ppm)
A 7.35 B 7.34 C 6.538 D 6.165 E 3.541
Hz ppm Int.664.13 7.416 64 662.50 7.398 80 660.25 7.373 75 657.63 7.343 76 656.63 7.332 81 655.81 7.323 100 654.50 7.308 51 653.63 7.299 86 650.00 7.258 76 647.88 7.235 35 590.38 6.593 81 589.13 6.579 97 580.81 6.486 64 579.31 6.469 71 558.88 6.241 61 557.50 6.225 57 552.31 6.167 82 550.81 6.151 97 545.56 6.092 48 544.19 6.077 44 317.19 3.542 1000
in CDCl3
liquid film
