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返回ChemicalBook首页>CAS数据库列表>10551-58-3更多图谱> 5-乙酰氧基甲基-2-呋喃醛(10551-58-3)核磁图(1HNMR)

10551-58-3

5-乙酰氧基甲基-2-呋喃醛(10551-58-3)核磁图(1HNMR)

分子式:C8H8O4

分子量: 168.15

InChI:InChI=1S/C8H8O4/c1-6(10)11-5-8-3-2-7(4-9)12-8/h2-4H,5H2,1H3

InChIKey: QAVITTVTXPZTSE-UHFFFAOYSA-N

Smiles:O1C(COC(C)=O)=CC=C1C=O

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    Mass

    MS-NW-8915          
    5-formylfurfuryl acetate
    C8H8O4              (Mass of molecular ion:    168)
    

       Source Temperature: 280 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       2.0
          27.0       3.5
          29.0       2.8
          38.0       1.7
          39.0       5.3
          41.0       4.4
          42.0       1.6
          43.0      27.5
          50.0       2.1
          51.0       6.0
          52.0       6.6
          53.0      10.8
          68.0       1.2
          69.0       3.9
          79.0      27.2
          80.0       4.8
          81.0       6.7
          95.0       1.0
          97.0       8.7
         109.0      21.2
         110.0       1.8
         123.0       1.2
         125.0       6.0
         126.0     100.0
         127.0       6.8
         168.0       1.2
    

90 MHz in DMSO-d6

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    1H NMR 89.56 MHz
    C8 H8 O4 0.04 g : 0.5 ml DMSO-d6
    5-formylfurfuryl acetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.604 B 7.522 C 6.808 D 5.155 E 2.081

         Hz     ppm     Int.
    

        860.23   9.606    425
        675.66   7.545    125
        672.07   7.505    137
        611.57   6.829    121
        608.06   6.790    108
        461.72   5.156    347
        186.47   2.083   1000
    

in DMSO-d6

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KBr disc

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nujol mull

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