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返回ChemicalBook首页>CAS数据库列表>89808-01-5更多图谱> 邻乙氧基苯胺盐酸盐(89808-01-5)核磁图(1HNMR)

89808-01-5

邻乙氧基苯胺盐酸盐(89808-01-5)核磁图(1HNMR)

分子式:C8H12ClNO

分子量: 173.64

InChI:InChI=1S/C8H11NO.ClH/c1-2-10-8-6-4-3-5-7(8)9;/h3-6H,2,9H2,1H3;1H

InChIKey: HODQIPYRQHAZFV-UHFFFAOYSA-N

Smiles:C1(OCC)=CC=CC=C1N.Cl

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    Mass

    MS-NW-8246          
    o-phenetidine hydrochloride
    C8H11NO HCl         (Mass of molecular ion:    137)
    

       Source Temperature: 140 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          18.0       3.2
          26.0       1.6
          27.0       9.1
          28.0       7.1
          29.0       3.9
          35.0       4.5
          36.0      34.4
          37.0       1.7
          38.0      11.8
          39.0       7.1
          40.0       1.0
          41.0       2.4
          42.0       1.0
          50.0       2.2
          51.0       5.0
          52.0      10.3
          53.0      17.4
          54.0       3.8
          63.0       3.1
          64.0       3.0
          65.0       9.9
          66.0       2.1
          78.0       1.9
          79.0       2.1
          80.0      71.0
          81.0       7.6
          91.0       2.1
          92.0       5.3
          93.0       2.5
          94.0       1.6
         108.0     100.0
         109.0      65.3
         110.0       4.6
         122.0       2.0
         136.0       1.1
         137.0      81.4
         138.0       8.3
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H11 N O 0.051 g : 0.5 ml CDCl3
    o-phenetidine hydrochloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.5 B 7.729 C 7.300 D 6.96 E 6.96 F 4.142 G 1.484

         Hz     ppm     Int.
    

        697.44   7.788    141
        695.56   7.767    149
        689.19   7.696    176
        687.81   7.680    183
        656.31   7.329    163
        655.19   7.316     88
        653.94   7.302     99
        648.56   7.242    152
        646.75   7.222    141
        629.06   7.024    196
        626.38   6.994    195
        625.06   6.980    199
        622.25   6.948    181
        621.31   6.938    118
        618.25   6.904    115
        616.81   6.888    109
        615.00   6.867     89
        381.75   4.263    108
        374.81   4.186    386
        367.81   4.107    416
        360.88   4.030    132
        139.63   1.560    464
        132.69   1.482   1000
        125.69   1.404    400
    

in CDCl3

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KBr disc

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nujol mull

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