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返回ChemicalBook首页>CAS数据库列表>107869-45-4更多图谱> (+)-10-樟脑磺内酰亚胺(107869-45-4)核磁图(1HNMR)

107869-45-4

(+)-10-樟脑磺内酰亚胺(107869-45-4)核磁图(1HNMR)

分子式:C10H15NO2S

分子量: 213.3

InChI:InChI=1S/C10H15NO2S/c1-9(2)7-3-4-10(9)6-14(12,13)11-8(10)5-7/h7H,3-6H2,1-2H3/t7-,10-/m0/s1

InChIKey: ZAHOEBNYVSWBBW-XVKPBYJWSA-N

Smiles:N1=C2[C@@]3(C(C)(C)[C@]([H])(C2)CC3)CS1(=O)=O

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    Mass

    MS-IW-7365          
    (3aR)-(+)-8,8-dimethyl-4,5,6,7-tetrahydro-3H-3a,6-methano-2,1-benzisothiazole 2,2-dioxide
    C10H15NO2S          (Mass of molecular ion:    213)
    

       Source Temperature: 170 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          27.0       4.1
          28.0       1.6
          29.0       2.4
          39.0       6.9
          40.0       1.8
          41.0      12.2
          42.0       5.2
          43.0       5.6
          48.0       1.2
          51.0       1.8
          52.0       1.2
          53.0       5.5
          54.0       2.8
          55.0       7.7
          56.0       1.3
          64.0       4.7
          65.0       2.7
          66.0       2.0
          67.0      21.2
          68.0       3.9
          69.0       4.0
          77.0       5.1
          78.0       1.2
          79.0       9.6
          80.0       3.4
          81.0       5.0
          82.0      20.1
          83.0       2.9
          91.0       6.7
          92.0       1.6
          93.0      41.6
          94.0       8.4
          95.0       2.5
         105.0       1.4
         106.0       6.6
         107.0       9.0
         108.0     100.0
         109.0      33.9
         110.0       2.5
         117.0       1.7
         120.0       3.6
         121.0       3.3
         132.0       1.2
         134.0      32.1
         135.0       3.4
         148.0       5.6
         149.0      11.9
         150.0       1.4
         213.0       1.8
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C10 H15 N O2 S 0.041 g : 0.5 ml in CDCl3
    (3aR)-(+)-8,8-dimethyl-4,5,6,7-tetrahydro-3H-3a,6-methano-2,1-benzisothiazole 2,2-dioxide
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 3.194 B *1 2.987 C 2.772 D 2.392 E 2.270 F 2.09 G 2.07 J 1.766 K 1.488 L 1.090 M 0.872 ASSIGNED BY C-H COSY

         Hz     ppm     Int.
    

       1284.42   3.214    180
       1271.12   3.181    242
       1199.46   3.002    236
       1186.16   2.968    175
       1122.07   2.808     43
       1119.87   2.803     43
       1117.80   2.797     46
       1115.36   2.791     44
       1102.66   2.760     55
       1100.59   2.754     55
       1098.39   2.749     59
       1096.07   2.743     55
        964.72   2.414    200
        945.31   2.366    157
        911.13   2.280     60
        909.91   2.277     55
        906.86   2.270    118
        902.83   2.260     69
        839.23   2.100     66
        837.40   2.096    110
        836.30   2.093     85
        834.23   2.088     69
        832.89   2.085     49
        831.67   2.081     49
        828.74   2.074    153
        827.51   2.071    108
        825.32   2.066     49
        824.22   2.063     45
        823.12   2.060     56
        820.07   2.052     30
        716.92   1.794     52
        707.40   1.771     83
        698.61   1.749     50
        601.32   1.505     53
        597.90   1.497     30
        594.36   1.488     67
        592.41   1.483     74
        583.01   1.459     43
        435.67   1.091   1000
        348.75   0.873    938
    

in CDCl3

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KBr disc

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nujol mull

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