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274-09-9

胡椒环(274-09-9)核磁图(13CNMR)

产品名称:胡椒环

CAS:274-09-9

分子式:C7H6O2

分子量: 122.12

InChI:InChI=1S/C7H6O2/c1-2-4-7-6(3-1)8-5-9-7/h1-4H,5H2

InChIKey: FTNJQNQLEGKTGD-UHFFFAOYSA-N

Smiles:O1C2=CC=CC=C2OC1

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    Mass

    MS-NW-5304          
    1,3-benzodioxole
    C7H6O2              (Mass of molecular ion:    122)
    

       Source Temperature: 280 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          26.0       2.7
          28.0       1.4
          29.0       2.7
          37.0       3.3
          38.0       8.9
          39.0       6.0
          40.0       2.4
          50.0       2.9
          51.0       2.8
          52.0       2.4
          53.0       3.1
          54.0       2.2
          61.0       5.5
          62.0       5.7
          63.0      27.9
          64.0      23.7
          65.0      11.3
          66.0       7.0
          76.0       1.1
          77.0       2.0
          92.0       2.3
          93.0       1.6
         121.0     100.0
         122.0      82.9
         123.0       6.9
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H6 O2 0.04 ml : 0.5 ml CDCl3
    1,3-benzodioxole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.81 B 5.90

         Hz     ppm     Int.
    

        609.56   6.807   1000
        528.19   5.898    702
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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