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4412-91-3

3-呋喃甲醇(4412-91-3)Raman光谱

产品名称:3-呋喃甲醇

CAS:4412-91-3

分子式:C5H6O2

分子量: 98.1

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

InChIKey: STJIISDMSMJQQK-UHFFFAOYSA-N

Smiles:O1C=CC(CO)=C1

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    Mass

    MS-IW-1326          
    3-furanmethanol
    C5H6O2              (Mass of molecular ion:     98)
    

       Source Temperature: 240 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          15.0       1.2
          26.0       2.3
          27.0       9.7
          28.0       2.8
          29.0      12.3
          31.0       8.1
          37.0       3.8
          38.0       6.9
          39.0      31.7
          40.0       4.6
          41.0      53.3
          42.0      25.2
          43.0       5.7
          44.0       3.7
          48.5       3.2
          49.0       1.4
          50.0       5.8
          51.0      10.3
          52.0       6.5
          53.0      20.3
          54.0       1.7
          55.0       9.0
          66.0       1.1
          67.0       3.1
          68.0       1.9
          69.0      42.6
          70.0      23.0
          71.0       3.8
          79.0       1.8
          81.0      29.6
          82.0       2.7
          95.0       8.8
          96.0       2.7
          97.0      47.6
          98.0     100.0
          99.0       5.9
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C5 H6 O2 0.05 ml : 0.5 ml CDCl3
    3-furanmethanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.358 B 7.348 C 6.375 D 4.430 E 3.44

         Hz     ppm     Int.
    

       2942.63   7.364    278
       2941.04   7.360    581
       2939.21   7.355    478
       2938.35   7.353    256
       2937.50   7.351    524
       2936.65   7.349    557
       2935.91   7.347    453
       2935.06   7.345    350
       2934.33   7.343    169
       2549.56   6.380    384
       2548.58   6.378    429
       2548.10   6.376    372
       2547.73   6.375    407
       2547.12   6.374    374
       2546.75   6.373    416
       1771.00   4.432    975
       1770.51   4.431    985
       1770.14   4.430   1000
       1375.61   3.443     56
    

in CDCl3

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liquid film

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