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7170-38-9

3-苯氧基丙酸(7170-38-9)核磁图(1HNMR)

产品名称:3-苯氧基丙酸

CAS:7170-38-9

分子式:C9H10O3

分子量: 166.17

InChI:InChI=1S/C9H10O3/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)

InChIKey: BUSOTUQRURCMCM-UHFFFAOYSA-N

Smiles:C(O)(=O)CCOC1=CC=CC=C1

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    Mass

    MS-NW-6759          
    3-phenoxypropionic acid
    C9H10O3             (Mass of molecular ion:    166)
    

       Source Temperature: 200 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          27.0       3.6
          28.0       1.3
          29.0       1.9
          38.0       1.6
          39.0       7.4
          40.0       1.8
          43.0       1.6
          45.0       4.1
          50.0       1.9
          51.0       5.2
          55.0       5.5
          63.0       2.4
          64.0       1.2
          65.0       9.8
          66.0       8.8
          73.0       3.8
          77.0       9.7
          78.0       2.1
          79.0       1.4
          91.0       1.1
          93.0       1.6
          94.0     100.0
          95.0       7.5
         107.0       3.5
         121.0       1.7
         166.0      34.0
         167.0       3.6
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C9 H10 O3 0.046 g : 0.5 ml CDCl3
    3-phenoxypropionic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.54 B 7.26 C 6.93 D 6.92 E 4.231 F 2.833

         Hz     ppm     Int.
    

       1033.68  11.542    168
        660.44   7.375    161
        659.84   7.368    121
        659.41   7.363    148
        658.39   7.352     79
        657.53   7.342     90
        653.94   7.302    176
        653.34   7.295    220
        651.89   7.279    465
        651.21   7.272    271
        649.58   7.254    115
        648.90   7.246     76
        646.59   7.220    218
        644.80   7.200    449
        643.77   7.189    328
        641.64   7.165     83
        630.19   7.037    105
        629.16   7.026    188
        628.74   7.021    205
        627.71   7.009    225
        624.21   6.970    140
        622.24   6.948    994
        620.96   6.934    489
        620.36   6.927    460
        618.23   6.903     55
        615.66   6.875    251
        613.70   6.853    436
        613.10   6.846    377
        385.63   4.306    406
        379.22   4.235    919
        372.99   4.165    498
        259.68   2.900    514
        253.44   2.830   1000
        247.12   2.760    412
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,200 M,powder

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