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返回ChemicalBook首页>CAS数据库列表>10513-45-8更多图谱> N-叔丁基-5-甲异唑高氯酸盐(10513-45-8)核磁图(1HNMR)

10513-45-8

N-叔丁基-5-甲异唑高氯酸盐(10513-45-8)核磁图(1HNMR)

分子式:C8H14ClNO5

分子量: 239.65

InChI:InChI=1S/C8H14NO.ClHO4/c1-7-5-6-9(10-7)8(2,3)4;2-1(3,4)5/h5-6H,1-4H3;(H,2,3,4,5)/q+1;/p-1

InChIKey: MPSXGPCFLAGJOM-UHFFFAOYSA-M

Smiles:[N+]1(C(C)(C)C)=CC=C(C)O1.Cl([O-])(=O)(=O)=O

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    Mass

    MS-NW-8266          
    2-tert-butyl-5-methylisoxazolium perchlorate
    C8H14ClNO5          (Mass of molecular ion:    239)
    

       Source Temperature: 190 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          14.0       1.3
          15.0       6.8
          17.0       1.4
          18.0       7.0
          26.0       5.4
          27.0      19.4
          28.0      19.7
          29.0      12.4
          35.0       1.2
          36.0       3.3
          37.0       2.5
          38.0       5.1
          39.0      30.1
          40.0      21.5
          41.0     100.0
          42.0       5.5
          43.0      72.3
          44.0       5.0
          49.0       1.0
          50.0       5.0
          51.0       7.0
          52.0       2.7
          53.0       6.7
          54.0       7.9
          55.0      30.2
          56.0      46.9
          57.0      35.7
          58.0       1.5
          67.0      14.7
          68.0      28.6
          69.0       6.8
          70.0       1.6
          82.0       1.0
          83.0      78.4
          84.0       4.8
          85.0      10.0
          97.0      13.8
          98.0       1.1
         100.0      21.5
         102.0       7.0
         112.0       6.7
         168.0       1.0
    

90 MHz in CDCl3

400 MHz in DMSO-d6

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    1H NMR 89.56 MHz
    C8 H14 Cl N O5 0.044 g : 0.5 ml CDCl3
    2-tert-butyl-5-methylisoxazolium perchlorate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.27 B 6.94 C 2.76 D 1.797 J(A,B)=2.8HZ J(A,C)=0.4HZ J(B,C)=0.9HZ

         Hz     ppm     Int.
    

        831.88   9.289     37
        831.44   9.284     34
        829.19   9.259     38
        623.19   6.959     29
        622.31   6.949     29
        620.44   6.928     30
        619.56   6.918     27
        247.00   2.758    189
        160.94   1.798   1000
    

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    1H NMR 399.65 MHz
    C8 H14 Cl N O5 0.056 g : 0.5 ml DMSO-d6
    2-tert-butyl-5-methylisoxazolium perchlorate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.666 B 7.178 C 2.692 D 1.693 J(A,B)=2.8HZ 90MHZ : HSP-00-738

         Hz     ppm     Int.
    

       3864.59   9.670     67
       3861.85   9.664     69
       2869.87   7.181     48
       2868.04   7.177     48
       2867.28   7.175     47
       1076.20   2.693    302
        676.88   1.694   1000
        667.88   1.672     21
        667.27   1.670     23
    

in CDCl3

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KBr disc

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nujol mull

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