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492-94-4

糠偶酰(492-94-4)核磁图(13CNMR)

产品名称:糠偶酰

CAS:492-94-4

分子式:C10H6O4

分子量: 190.15

InChI:InChI=1S/C10H6O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6H

InChIKey: SXPUVBFQXJHYNS-UHFFFAOYSA-N

Smiles:C(C1=CC=CO1)(=O)C(C1=CC=CO1)=O

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    Mass

    MS-NW-2322          
    2,2'-furil
    C10H6O4             (Mass of molecular ion:    190)
    

       Source Temperature: 300 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          18.0       3.3
          37.0       1.4
          38.0       3.7
          39.0      16.4
          51.0       1.3
          67.0       2.4
          95.0     100.0
          96.0       5.5
         162.0       1.1
         190.0       7.3
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C10 H6 O4 0.038 g : 0.5 ml CDCl3
    2,2'-furil
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.793 B 7.639 C 6.646

         Hz     ppm     Int.
    

        699.25   7.808    792
        698.50   7.800    906
        697.56   7.789    864
        696.75   7.780    908
        695.50   7.766     57
        693.88   7.748     29
        686.44   7.665    886
        685.69   7.657    817
        684.44   7.643     58
        682.75   7.624   1000
        682.00   7.616    894
        597.81   6.675    922
        596.13   6.657    898
        594.13   6.634    852
        592.44   6.616    850
    

in CDCl3

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KBr disc

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nujol mull

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