1-甲基-2-吡啶酮(694-85-9)红外图谱(IR1)
InChI:InChI=1S/C6H7NO/c1-7-5-3-2-4-6(7)8/h2-5H,1H3
InChIKey: DVVGIUUJYPYENY-UHFFFAOYSA-N
Smiles:C1(=O)N(C)C=CC=C1
-
Mass
MS-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
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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
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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