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101-84-8

二苯醚(101-84-8)核磁图(1HNMR)

产品名称:二苯醚

CAS:101-84-8

分子式:C12H10O

分子量: 170.21

InChI:InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H

InChIKey: USIUVYZYUHIAEV-UHFFFAOYSA-N

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

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    Mass

    MS-NW-0562          
    diphenyl ether
    C12H10O             (Mass of molecular ion:    170)
    

       Source Temperature: 280 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          27.0       2.0
          38.0       2.1
          39.0       8.8
          50.0       5.2
          51.0      24.3
          52.0       1.3
          55.0       1.1
          63.0       2.9
          64.0       1.3
          65.0       5.2
          66.0       1.6
          70.0       1.7
          71.0       2.3
          74.0       1.5
          75.0       1.2
          76.0       1.5
          77.0      32.8
          78.0       2.5
          85.0       1.4
          94.0       4.2
         115.0       8.6
         116.0       1.6
         139.0       1.5
         141.0      38.0
         142.0      26.9
         143.0       2.9
         168.0       1.4
         169.0      16.4
         170.0     100.0
         171.0      13.4
         172.0       1.0
    

parameter in CDCl3

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    1H NMR 300 MHz
    C12 H10 O 10 wt% in CCl4
    diphenyl ether
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 6.925 D(B) 7.218 D(C) 6.977 J(A,A') 2.63 J(A,B) 8.25 J(A,B') 0.46 J(A,C) 1.11 J(A',B) 0.46 J(A',B') 8.25 J(A',C) 1.11 J(B,B') 1.73 J(B,C) 7.41 J(B',C) 7.41 CASTELLANO,S. ET AL. TETRAHEDRON LETT. 1967, 5205

         Hz     ppm     Int.
    

       2176.03   7.253     80
       2173.79   7.246    458
       2171.65   7.239    209
       2168.74   7.229    114
       2166.34   7.221    810
       2165.28   7.218    745
       2163.01   7.210    135
       2159.75   7.199    297
       2157.80   7.193    727
       2155.44   7.185    114
       2101.28   7.004    182
       2100.16   7.001    361
       2099.03   6.997    239
       2094.19   6.981    189
       2092.78   6.976    562
       2091.28   6.971    228
       2086.48   6.955    147
       2085.36   6.951    279
       2084.18   6.947    309
       2082.21   6.941    861
       2081.05   6.937   1000
       2078.85   6.929    268
       2075.44   6.918    295
       2074.53   6.915    472
       2073.46   6.912    794
       2072.44   6.908    674
       2069.85   6.899     84
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,100M,liquid

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