107869-45-4

(+)-10-樟脑磺内酰亚胺(107869-45-4)红外图谱(IR1)

产品名称:(+)-10-樟脑磺内酰亚胺

CAS:107869-45-4

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

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

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

    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