104372-31-8

(1R)-(-)-10-樟脑磺哑嗪(104372-31-8)质谱(MS)

产品名称:(1R)-(-)-10-樟脑磺哑嗪

CAS:104372-31-8

分子式:C10H15NO3S

分子量: 229.3

InChI:InChI=1/C10H15NO3S/c1-8(2)7-3-4-9(8)6-15(12,13)11-10(9,5-7)14-11/h7H,3-6H2,1-2H3/t7-,9-,10?,11?/s3

InChIKey: GBBJBUGPGFNISJ-SENRVMEJNA-N

Smiles:C123C[C@@]4([H])CC[C@@]1(CS(=O)(=O)N2O3)C4(C)C |&1:2,6,r|

¹HNMR

IR1

IR2

Mass

MS-IW-4931          
(-)-(2S,8aR)-(camphorsulfonyl)oxaziridine
C10H15NO3S          (Mass of molecular ion:    229)

   Source Temperature: 140 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      15.0       1.4
      18.0       3.7
      26.0       1.2
      27.0      21.9
      28.0       7.0
      29.0      13.5
      30.0       2.6
      32.0       1.0
      38.0       1.8
      39.0      37.8
      40.0       9.1
      41.0      66.9
      42.0      14.6
      43.0      38.4
      44.0       2.7
      48.0       7.3
      50.0       2.9
      51.0      10.2
      52.0       6.4
      53.0      28.9
      54.0      13.1
      55.0      39.6
      56.0       6.6
      57.0      11.2
      58.0       1.8
      59.0       3.6
      63.0       3.3
      64.0      13.5
      65.0      14.6
      66.0       8.2
      67.0      64.9
      68.0      15.5
      69.0      37.5
      70.0       8.0
      71.0       1.3
      73.0       1.0
      77.0      30.0
      78.0       7.3
      79.0      44.2
      80.0      17.4
      81.0      31.2
      82.0      35.6
      83.0       8.2
      84.0       2.2
      85.0       1.2
      91.0      37.6
      92.0       9.0
      93.0      92.5
      94.0      36.4
      95.0      18.1
      96.0       6.2
      97.0      11.0
      98.0       1.1
     103.0       1.9
     104.0       3.7
     105.0      15.4
     106.0      18.5
     107.0      43.1
     108.0     100.0
     109.0      56.4
     110.0       7.7
     111.0       1.6
     117.0       3.1
     118.0       2.5
     119.0       6.0
     120.0       9.8
     121.0       7.4
     122.0      59.2
     123.0      20.6
     124.0       4.9
     131.0       2.3
     132.0       6.4
     133.0       5.5
     134.0      34.5
     135.0      14.2
     136.0       8.3
     137.0       6.1
     138.0       1.8
     146.0       2.8
     147.0       2.4
     148.0      23.9
     149.0      14.0
     150.0      17.9
     151.0       3.4
     152.0       1.0
     164.0       8.4
     165.0      14.4
     166.0       1.7
     167.0       1.0
     186.0       4.0
     199.0       2.7
     201.0      11.1
     202.0       1.2
     229.0       4.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₅ N O₃ S	0.039 g : 0.5 ml CDCl₃
(-)-(2S,8aR)-(camphorsulfonyl)oxaziridine

    Assign.     Shift(ppm)

      A     *1      3.294
      B     *1      3.113
      C             2.632
      D             2.136
      E             2.02
      F             1.99
      G             1.92
      J             1.780
      K             1.52
      L     *2      1.175
      M     *2      1.039
     
     ASSIGNED BY H-H AND C-H COSY.
     J(A,B)=-14.0HZ
     J(C,J)=-15.5HZ
     J(C,D)=4.5HZ
     J(C,F)=-2.8HZ
     J(D,F)=4.5HZ

     Hz     ppm     Int.

   1324.83   3.315    229
   1310.79   3.280    326
   1250.12   3.129    277
   1236.08   3.093    193
   1063.48   2.662     54
   1060.67   2.654     50
   1058.96   2.650     52
   1056.03   2.643     47
   1047.97   2.623     60
   1045.17   2.616     56
   1043.33   2.611     56
   1041.87   2.607     35
   1040.53   2.604     51
    857.91   2.147     59
    853.76   2.137    112
    850.95   2.130     56
    849.37   2.126     63
    816.04   2.042     65
    812.62   2.034     55
    807.01   2.020     85
    805.05   2.015    113
    804.32   2.013    109
    803.10   2.010    101
    801.64   2.006     62
    800.54   2.004     50
    798.83   1.999     53
    795.78   1.992     64
    791.99   1.982     54
    785.28   1.965     35
    782.35   1.958     56
    780.76   1.954     57
    779.05   1.950     70
    777.22   1.945     32
    769.41   1.926     70
    768.43   1.923     87
    766.11   1.917     40
    760.38   1.903     61
    718.99   1.800    207
    703.49   1.761    190
    616.46   1.543     35
    611.57   1.531     64
    608.40   1.523     91
    599.24   1.500     50
    469.73   1.176    937
    415.41   1.040   1000

KBr disc