5872-08-2

混旋樟腦磺酸(5872-08-2)核磁圖(¹HNMR)

產(chǎn)品名稱:混旋樟腦磺酸

CAS:5872-08-2

分子式:C10H16O4S

分子量: 232.3

InChI:InChI=1S/C10H16O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h7H,3-6H2,1-2H3,(H,12,13,14)

InChIKey: MIOPJNTWMNEORI-UHFFFAOYSA-N

Smiles:C12(CS(O)(=O)=O)C(C)(C)C(CC1)CC2=O

Mass

MS-IW-3903          
(+-)-10-camphorsulfonic acid
C10H16O4S           (Mass of molecular ion:    232)

   Source Temperature: 150 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      18.0       2.7
      27.0       7.5
      28.0       1.8
      29.0       5.7
      39.0      11.9
      40.0       3.2
      41.0      27.6
      42.0       2.0
      43.0      13.6
      51.0       2.9
      52.0       2.2
      53.0      12.2
      54.0       3.3
      55.0      15.7
      56.0       1.0
      57.0       4.2
      65.0       4.3
      66.0       1.5
      67.0      28.4
      68.0       4.5
      69.0      14.4
      77.0       7.9
      78.0       1.7
      79.0      13.4
      80.0       2.4
      81.0      53.1
      82.0       4.8
      83.0       2.6
      85.0       2.4
      91.0       9.0
      92.0       1.5
      93.0      24.2
      94.0       3.3
      95.0      11.3
      96.0       1.3
      97.0       2.1
     105.0       2.2
     106.0       3.8
     107.0      24.7
     108.0      14.2
     109.0     100.0
     110.0       9.1
     121.0       1.5
     122.0       1.2
     123.0      38.7
     124.0       4.0
     133.0       7.2
     135.0       1.3
     150.0       5.0
     151.0      66.1
     152.0      16.5
     153.0       6.4
     168.0       4.2
     175.0       1.0
     188.0       1.1
     189.0       1.2
     232.0       1.7

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₀ H₁₆ O₄ S	0.031 g : 0.5 ml DMSO-d₆
(+-)-10-camphorsulfonic acid

    Assign.     Shift(ppm)

      A            10.48
      B     *1      3.022
      C     *1      2.577
      D             2.56
      E             2.271
      F             1.982
      G             1.89
      J             1.848
      K             1.37
      L             1.32
      M             1.035
      N             0.761
     
     ASSIGNED BY H-H AND C-H COSY.
     J(B,C)=-14.8HZ
     J(E,F)=4.4HZ
     J(E,J)=-18.2HZ

     Hz     ppm     Int.

   4188.38  10.481     48
   1215.82   3.043    200
   1201.02   3.006    235
   1037.60   2.597    243
   1022.80   2.560    248
   1013.34   2.536     69
    922.09   2.308     30
    918.27   2.298     41
    914.15   2.288     35
    903.93   2.262     37
    899.96   2.252     50
    899.51   2.251     50
    896.00   2.242     43
    796.97   1.995     64
    792.54   1.984    130
    787.96   1.972     79
    758.97   1.900     39
    754.70   1.889     49
    751.50   1.881     40
    746.46   1.868    210
    743.26   1.860     40
    739.90   1.852     31
    728.15   1.822    160
    560.46   1.403     31
    551.15   1.380     57
    546.88   1.369     84
    535.74   1.341    200
    526.43   1.318     60
    523.07   1.309     51
    413.82   1.036   1000
    304.26   0.762    921

in DMSO-d6