1003-68-5

2-羟基-5-甲基吡啶(1003-68-5)质谱(MS)

产品名称:2-羟基-5-甲基吡啶

CAS:1003-68-5

分子式:C6H7NO

分子量: 109.13

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

InChIKey: SOHMZGMHXUQHGE-UHFFFAOYSA-N

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

Mass

MS2006-02995WA      
2-hydroxy-5-methylpyridine
C6H7NO              (Mass of molecular ion:    109)

   Source Temperature: 250 °C
   Sample Temperature:  20 °C
   Direct, 70 eV

      18.0       1.5
      26.0       1.8
      27.0       7.3
      28.0       5.4
      37.0       1.2
      38.0       2.2
      39.0       7.4
      40.0       1.0
      41.0       2.0
      43.0       1.7
      49.0       1.0
      50.0       4.6
      51.0       6.5
      52.0       5.8
      53.0      16.2
      54.0       5.6
      55.0       2.0
      63.0       1.3
      64.0       1.1
      65.0       1.3
      79.0       1.1
      80.0      72.9
      81.0      21.1
      82.0       2.2
     108.0       6.7
     109.0     100.0
     110.0       7.3

in DMSO-d6

parameter in CDCl3

¹H NMR	300 MHz
C₆ H₇ N O	in CDCl₃
5-methyl-2-pyridone

    Parameter     ppm  Hz

      D(A)         6.45
      D(B)         7.23
      D(C)         6.93
      D(D)         2.06
       J(A,B)          9.1
       J(A,C)          0.8
       J(A,D)          0.2
       J(B,C)          2.6
       J(B,D)          0.2
       J(C,D)          1.0
     
      D(E)        13.17
     
     BELL,C.L. ET AL. J.HETEROCYCL.CHEM. 2, 420 (1965)
     J(A,D) AND J(B,D) : LESS THAN 0.2HZ.

     Hz     ppm     Int.

   3951.05  13.170    647
   2174.94   7.250    133
   2172.48   7.242    141
   2165.91   7.220    155
   2163.34   7.211    152
   2081.16   6.937    108
   2080.24   6.934    158
   2079.52   6.932    147
   2078.70   6.929    140
   2077.78   6.926    146
   2076.85   6.923    103
   1939.88   6.466    181
   1939.16   6.464    180
   1930.75   6.436    168
   1930.03   6.433    167
    618.49   2.062   1000
    617.57   2.059    999

in DMSO-d6