ChemicalBook
English   Japanese   Germany   Korea

100-55-0

3-吡啶甲醇(100-55-0)Raman光谱

产品名称:3-吡啶甲醇

CAS:100-55-0

分子式:C6H7NO

分子量: 109.13

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

InChIKey: MVQVNTPHUGQQHK-UHFFFAOYSA-N

Smiles:C1=NC=CC=C1CO

  • 图谱
    Mass

    MS-NW-1119          
    3-pyridinemethanol
    C6H7NO              (Mass of molecular ion:    109)
    

       Source Temperature: 240 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          18.0       2.7
          26.0       4.7
          27.0      13.6
          28.0       5.6
          29.0       7.4
          31.0       8.2
          37.0       3.5
          38.0       7.1
          39.0      23.5
          40.0       2.2
          41.0       3.2
          49.0       2.4
          50.0      12.1
          51.0      23.9
          52.0      16.0
          53.0      34.4
          54.0       7.5
          55.0       4.9
          61.0       1.4
          62.0       2.6
          63.0       7.7
          64.0       9.9
          65.0      14.6
          66.0       1.7
          75.0       1.0
          76.0       1.1
          78.0      15.6
          79.0       9.4
          80.0      88.3
          81.0      14.7
          82.0       1.8
          91.0      20.1
          92.0       9.7
          93.0       2.0
         106.0       3.5
         107.0       2.9
         108.0      94.9
         109.0     100.0
         110.0       6.9
    

90 MHz in CDCl3

parameter in DMSO-d6

  • 图谱

    1H NMR 89.56 MHz
    C6 H7 N O 0.04 ml : 0.5 ml CDCl3
    3-pyridinemethanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.439 B 8.360 C 7.708 D 7.259 E 5.531 F 4.67

         Hz     ppm     Int.
    

        757.19   8.455    248
        756.44   8.447    252
        755.63   8.438    231
        755.00   8.431    281
        754.25   8.422    250
        751.88   8.396    194
        750.19   8.377    198
        747.00   8.341    199
        745.31   8.322    205
        696.94   7.782     83
        695.19   7.763    125
        694.69   7.757    122
        693.00   7.738     83
        689.06   7.694    122
        687.44   7.676    180
        686.81   7.669    173
        686.19   7.662    107
        685.13   7.650    110
        655.75   7.322    236
        654.94   7.313    164
        650.88   7.268    163
        650.06   7.259    147
        648.00   7.236    126
        647.13   7.226    115
        643.06   7.181    116
        642.31   7.172    103
        495.38   5.532    351
        418.56   4.674   1000
    

  • 图谱

    1H NMR 300 MHz
    C6 H7 N O 30 % in DMSO
    3-pyridinemethanol
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.70 D(B) 7.90 D(C) 7.42 D(D) 8.55 J(A,B) 2.0 J(A,C) 1.0 J(A,D) 0.0 J(B,C) 7.1 J(B,D) 1.4 J(C,D) 4.4 D(E) 4.69 D(F) 5.58 BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.) 66, 159 (1962)

         Hz     ppm     Int.
    

       2611.45   8.705    162
       2610.51   8.702    182
       2609.53   8.698    184
       2608.59   8.695    165
       2567.91   8.560    140
       2566.56   8.555    144
       2563.51   8.545    146
       2562.16   8.541    145
       2375.34   7.918     73
       2373.80   7.913     98
       2371.95   7.906     73
       2368.23   7.894     82
       2366.69   7.889    109
       2364.88   7.883     78
       2232.09   7.440     83
       2231.23   7.437     84
       2227.73   7.426     84
       2226.79   7.423     86
       2225.06   7.417     82
       2224.12   7.414     78
       2220.62   7.402     74
       2219.72   7.399     73
       1673.99   5.580    500
       1407.01   4.690   1000
    

in CDCl3

  • 图谱

liquid film

  • 图谱

  • 图谱

×