1121-78-4

3-羟基-6-甲基吡啶(1121-78-4)核磁图(¹³CNMR)

产品名称:3-羟基-6-甲基吡啶

CAS:1121-78-4

分子式:C6H7NO

分子量: 109.13

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

InChIKey: DHLUJPLHLZJUBW-UHFFFAOYSA-N

Smiles:C1=NC(C)=CC=C1O

Mass

MS-NW-6534          
6-methyl-3-pyridinol
C6H7NO              (Mass of molecular ion:    109)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       2.1
      26.0       2.8
      27.0       9.5
      28.0       3.6
      29.0       1.8
      37.0       1.5
      38.0       2.8
      39.0      10.3
      40.0       1.9
      41.0       2.5
      42.0       4.1
      43.0       1.0
      49.0       1.2
      50.0       4.8
      51.0       6.2
      52.0       5.7
      53.0      13.8
      54.0       9.6
      54.5       1.8
      55.0       5.0
      57.0       1.3
      63.0       1.2
      64.0       1.7
      65.0       1.0
      66.0       1.2
      67.0       1.1
      68.0       2.0
      70.0       1.0
      80.0      36.4
      81.0      11.8
      82.0       4.6
      91.0       1.1
      94.0       2.6
     108.0      14.3
     109.0     100.0
     110.0       7.5

parameter in DMSO-d6

400 MHz in DMSO-d6

¹H NMR	300 MHz
C₆ H₇ N O	30 % in DMSO
6-methyl-3-pyridinol

    Parameter     ppm  Hz

      D(A)         8.23
      D(B)         7.28
      D(C)         7.15
       J(A,B)          2.3
       J(A,C)          0.6
       J(B,C)          8.7
     
      D(D)         8.8
     
      D(E)         2.50
     
     BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.)
     66, 159 (1962)
     H(D):BROAD.

     Hz     ppm     Int.

   2640.01   8.800    333
   2470.00   8.233    128
   2468.09   8.227    130
   2189.94   7.300     70
   2187.73   7.292     68
   2181.29   7.271    107
   2179.02   7.263    106
   2149.07   7.164    146
   2148.73   7.162    146
   2140.37   7.135     94
   2140.02   7.133     94
    750.03   2.500   1000

¹H NMR	399.65 MHz
C₆ H₇ N O	0.028 g : 0.5 ml DMSO-d₆
6-methyl-3-pyridinol

    Assign.     Shift(ppm)

      A             9.64
      B             8.017
      C             7.065
      D             7.051
      E             2.348

     Hz     ppm     Int.

   3853.76   9.643     93
   3205.87   8.022    110
   3205.11   8.020    117
   3203.43   8.016    128
   3202.51   8.014    121
   2832.34   7.088     35
   2829.90   7.081     28
   2824.10   7.067    177
   2821.50   7.060    218
   2819.98   7.057    198
   2819.21   7.055    209
   2811.58   7.036     38
   2810.97   7.034     34
    938.57   2.349   1000

in DMSO-d6