ChemicalBook
English   Japanese   Germany   Korea

98-00-0

糠醇(98-00-0)核磁图(1HNMR)

产品名称:糠醇

CAS:98-00-0

分子式:C5H6O2

分子量: 98.1

InChI:InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2

InChIKey: XPFVYQJUAUNWIW-UHFFFAOYSA-N

Smiles:O1C=CC=C1CO

  • 图谱
    Mass

    MS-NW-5551          
    furfuryl alcohol
    C5H6O2              (Mass of molecular ion:     98)
    

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

          14.0       1.8
          15.0       2.7
          17.0       1.0
          18.0       4.2
          25.0       1.2
          26.0       6.1
          27.0      23.3
          28.0       6.2
          29.0      22.3
          30.0       1.8
          31.0      14.2
          35.0       1.2
          36.0       1.1
          37.0       8.5
          38.0      14.4
          39.0      51.1
          40.0       7.1
          41.0      68.1
          42.0      39.4
          43.0      11.6
          44.0       8.9
          48.5       2.8
          49.0       2.6
          50.0      10.2
          51.0      15.5
          52.0      12.8
          53.0      47.0
          54.0       3.4
          55.0      14.6
          56.0       1.8
          57.0       1.6
          66.0       1.4
          67.0       1.6
          68.0       3.3
          69.0      32.7
          70.0      30.2
          71.0       3.1
          79.0       1.5
          80.0       1.7
          81.0      57.1
          82.0       5.2
          95.0       7.0
          96.0       2.1
          97.0      52.5
          98.0     100.0
          99.0       6.1
    

90 MHz in CDCl3

  • 图谱

    1H NMR 89.56 MHz
    C5 H6 O2 0.04 ml : 0.5 ml CDCl3
    furfuryl alcohol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.368 B 6.312 C 6.257 D 4.543 E 2.70 J(A,B)=1.8HZ. J(A,C)=0.9HZ. J(B,C)=3.2HZ.

         Hz     ppm     Int.
    

        661.38   7.385    336
        660.50   7.375    336
        659.63   7.366    376
        658.69   7.355    378
        568.63   6.350    110
        566.81   6.329     98
        565.38   6.313    291
        563.63   6.294    306
        561.75   6.273    272
        561.25   6.267    274
        560.88   6.263    285
        558.56   6.237    108
        558.06   6.232    100
        557.63   6.227     99
        557.13   6.221     60
        406.88   4.544   1000
        241.75   2.700    440
    

in CDCl3

  • 图谱

CCl4 solution

  • 图谱

liquid film

  • 图谱

  • 图谱

×