91914-07-7

6-甲基-2-羥基吡啶(91914-07-7)核磁圖(¹HNMR)

產品名稱:6-甲基-2-羥基吡啶

CAS:91914-07-7

分子式:C6H7NO

分子量: 109.13

InChI:InChI=1S/C6H7NO/c1-5-3-2-4-6(8)7-5/h2-4H,1H3,(H,7,8)

InChIKey: JEAVIRYCMBDJIU-UHFFFAOYSA-N

Smiles:C1(O)=NC(C)=CC=C1

Mass

MS-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

90 MHz in CDCl3

parameter in CDCl3

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

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

in CDCl3