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496-14-0

1,3-二氢异苯并呋喃(496-14-0)核磁图(13CNMR)

分子式:C8H8O

分子量: 120.15

InChI:InChI=1S/C8H8O/c1-2-4-8-6-9-5-7(8)3-1/h1-4H,5-6H2

InChIKey: SFLGSKRGOWRGBR-UHFFFAOYSA-N

Smiles:C1C2=C(C=CC=C2)CO1

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    Mass

    MS-NW-8386          
    1,3-dihydroisobenzofuran
    C8H8O               (Mass of molecular ion:    120)
    

       Source Temperature: 260 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          18.0       1.0
          27.0       1.6
          29.0       1.6
          37.0       1.4
          38.0       3.3
          39.0      14.5
          40.0       1.3
          41.0       2.5
          50.0       4.0
          51.0       6.6
          52.0       1.1
          59.5       1.0
          61.0       1.9
          62.0       5.2
          63.0      13.6
          64.0       3.4
          65.0      22.6
          66.0       1.5
          74.0       1.0
          77.0       1.4
          86.0       1.2
          89.0      10.8
          90.0       5.0
          91.0     100.0
          92.0      56.9
          93.0       4.1
         105.0       2.3
         119.0      22.5
         120.0      25.0
         121.0       2.2
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H8 O 0.05 ml : 0.5 ml CDCl3
    1,3-dihydroisobenzofuran
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 7.23 B *1 7.21 C 5.086

         Hz     ppm     Int.
    

       2896.97   7.249    117
       2893.43   7.240    121
       2892.09   7.237    112
       2890.50   7.233    134
       2888.06   7.227    320
       2885.13   7.220    175
       2882.20   7.212    296
       2879.52   7.206    124
       2877.93   7.202    128
       2876.83   7.199    131
       2873.05   7.189    113
       2032.59   5.086   1000
    

in CDCl3

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liquid film

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