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Back ChemicalBook Home>CAS DataBase List>586-98-1More Spectrum> 2-(Hydroxymethyl)pyridine(586-98-1) MS

2-(Hydroxymethyl)pyridine(586-98-1) MS

Molecular FormulaC6H7NO

Molecular Weight109.13

InChIInChI=1S/C6H7NO/c8-5-6-3-1-2-4-7-6/h1-4,8H,5H2

InChIKey SHNUBALDGXWUJI-UHFFFAOYSA-N

SmilesC1(CO)=NC=CC=C1


  • Mass

    MS-NW-3076          
    2-pyridinemethanol
    C6H7NO              (Mass of molecular ion:    109)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          18.0       1.2
          26.0       3.7
          27.0       8.9
          28.0       4.4
          29.0       3.9
          31.0       5.8
          37.0       2.0
          38.0       3.5
          39.0       8.7
          40.0       1.1
          41.0       1.0
          49.0       1.7
          50.0       8.8
          51.0      21.4
          52.0      29.3
          53.0      21.7
          54.0       1.8
          62.0       1.2
          63.0       2.8
          64.0       3.1
          65.0       4.8
          75.0       1.0
          76.0       1.3
          78.0      32.4
          79.0      32.9
          80.0      58.3
          81.0       4.2
          91.0       1.0
          92.0       2.0
         106.0       2.6
         107.0       1.1
         108.0     100.0
         109.0      54.4
         110.0       3.8
    

400 MHz in CDCl3

90 MHz in CDCl3

parameter in DMSO-d6


  • 1H NMR 399.65 MHz
    C6 H7 N O 0.05 ml : 0.5 ml CDCl3
    2-pyridinemethanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.454 B 7.653 C 7.374 D 7.147 E 5.4 F 4.750

         Hz     ppm     Int.
    

       3382.69   8.465    137
       3381.84   8.463    163
       3380.98   8.460    173
       3380.00   8.458    159
       3377.81   8.452    145
       3376.83   8.450    164
       3376.10   8.448    170
       3375.12   8.446    155
       3067.63   7.676    142
       3065.80   7.672    148
       3059.81   7.657    247
       3057.98   7.652    244
       3052.25   7.638    170
       3050.42   7.633    166
       2951.54   7.386    176
       2950.44   7.383    238
       2949.46   7.381    183
       2944.34   7.368     76
       2943.73   7.366    152
       2942.75   7.364    207
       2941.53   7.361    156
       2863.65   7.166     81
       2863.04   7.164    147
       2862.43   7.163    145
       2861.82   7.161    151
       2861.21   7.160     93
       2858.03   7.152    141
       2857.42   7.150    141
       2856.81   7.149    146
       2856.20   7.147    130
       2855.47   7.145    148
       2854.86   7.144    137
       2854.25   7.142    136
       2853.64   7.141     82
       2851.20   7.135     69
       2850.59   7.133    128
       2849.98   7.132    123
       2849.37   7.130    127
       2848.75   7.129     73
       1898.19   4.750   1000
    


  • 1H NMR 89.56 MHz
    C6 H7 N O 0.04 ml : 0.5 ml CDCl3
    2-pyridinemethanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.49 B 7.65 C 7.34 D 7.17 E 4.85 F 4.752

         Hz     ppm     Int.
    

        764.25   8.534    102
        763.19   8.522    125
        762.50   8.514    129
        761.63   8.505    111
        759.31   8.479    116
        758.38   8.468    136
        757.63   8.460    135
        756.69   8.449    114
        695.56   7.767     76
        693.75   7.747     77
        688.13   7.684    158
        686.25   7.663    158
        680.38   7.597    172
        678.56   7.577    166
        659.81   7.368    210
        653.31   7.295     96
        652.38   7.285    124
        651.94   7.280    119
        648.06   7.237    124
        647.44   7.230    103
        646.75   7.222     98
        643.19   7.182    112
        642.50   7.174     96
        641.81   7.167    107
        641.31   7.161    100
        640.75   7.155     97
        640.06   7.147     82
        639.38   7.140     79
        635.81   7.100     78
        635.19   7.093     71
        634.50   7.085     68
        434.50   4.852    108
        425.56   4.752   1000
    


  • 1H NMR 300 MHz
    C6 H7 N O 30 % in DMSO
    2-pyridinemethanol
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.65 D(B) 7.40 D(C) 8.05 D(D) 7.75 J(A,B) 4.6 J(A,C) 2.0 J(A,D) 1.2 J(B,C) 7.8 J(B,D) 1.0 J(C,D) 8.0 D(E) 4.81 D(F) 5.60 BRUEGEL,W. Z.ELEKTROCHEM.BER.BUNSENGES.PHYS.CHEM. 66, 159 (1962)

         Hz     ppm     Int.
    

       2598.89   8.663     51
       2597.67   8.659     64
       2596.99   8.657     65
       2595.74   8.652     59
       2594.31   8.648     59
       2593.10   8.644     66
       2592.38   8.641     65
       2591.20   8.637     54
       2424.13   8.080     40
       2422.17   8.074     39
       2416.27   8.054     86
       2414.30   8.048     84
       2408.36   8.028     52
       2406.39   8.021     50
       2329.85   7.766     65
       2328.85   7.763    104
       2327.81   7.759     65
       2321.88   7.740     54
       2320.84   7.736     87
       2319.84   7.733     55
       2226.56   7.422     55
       2225.67   7.419     54
       2221.98   7.407     55
       2221.02   7.403     55
       2218.83   7.396     53
       2217.87   7.393     51
       2214.18   7.381     50
       2213.29   7.378     49
       1680.01   5.600   1000
       1442.98   4.810    667
    

in CDCl3



liquid film





2-(Hydroxymethyl)pyridine(586-98-1) MS Atlas of Related Products

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