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588-63-6

3-苯氧基溴丙烷(588-63-6)核磁图(13CNMR)

产品名称:3-苯氧基溴丙烷

CAS:588-63-6

分子式:C9H11BrO

分子量: 215.09

InChI:InChI=1S/C9H11BrO/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2

InChIKey: NIDWUZTTXGJFNN-UHFFFAOYSA-N

Smiles:C1(OCCCBr)=CC=CC=C1

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    Mass

    MS-NW-5681          
    3-bromopropyl phenyl ether
    C9H11BrO            (Mass of molecular ion:    214)
    

       Source Temperature: 270 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          27.0       2.2
          28.0       1.6
          38.0       1.7
          39.0       9.7
          40.0       1.9
          41.0      18.7
          42.0       1.5
          50.0       2.1
          51.0       6.1
          55.0       1.2
          63.0       2.3
          64.0       1.2
          65.0       7.8
          66.0       7.4
          77.0      12.4
          78.0       1.9
          79.0       1.9
          91.0       1.1
          94.0     100.0
          95.0       7.8
         107.0       4.5
         121.0       4.4
         123.0       4.1
         134.0       1.4
         135.0       5.5
         214.0      16.5
         215.0       1.9
         216.0      16.5
         217.0       1.9
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C9 H11 Br O 0.04 ml : 0.5 ml CDCl3
    3-bromopropyl phenyl ether
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.27 B 6.94 C 6.90 D 4.089 E 3.585 F 2.307

         Hz     ppm     Int.
    

        661.06   7.382    166
        660.00   7.370    173
        658.13   7.349    111
        654.56   7.309    127
        653.88   7.302    230
        652.50   7.286    381
        650.63   7.265    161
        647.56   7.231    217
        647.19   7.227    191
        645.44   7.207    369
        645.06   7.203    396
        644.31   7.195    370
        629.88   7.034    104
        628.88   7.022    164
        628.38   7.017    209
        627.38   7.006    271
        624.19   6.970    146
        622.06   6.946    880
        621.00   6.934    414
        620.00   6.923    394
        615.31   6.871    205
        613.69   6.853    395
        612.75   6.842    318
        372.31   4.158    496
        366.50   4.093    973
        360.69   4.028    547
        328.19   3.665    403
        321.69   3.592   1000
        315.38   3.522    614
        218.69   2.442    109
        218.13   2.436    126
        212.63   2.375    364
        212.13   2.369    365
        206.13   2.302    476
        200.13   2.235    302
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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