14575-84-9

D-3-Bromocamphor-8-sulfonic acid ammonium salt(14575-84-9) MS

Product NameD-3-Bromocamphor-8-sulfonic acid ammonium salt

Molecular FormulaC10H18BrNO4S

Molecular Weight328.22

InChIInChI=1/C10H15BrO4S.H3N/c1-9-4-3-6(7(11)8(9)12)10(9,2)5-16(13,14)15;/h6-7H,3-5H2,1-2H3,(H,13,14,15);1H3/t6-,7+,9+,10-;/s3

InChIKey GFBVBBRNPGPROZ-XMBBWCBMNA-N

Smiles[C@]1(C)(CS(=O)(=O)O)[C@]2([H])CC[C@@]1(C)C([C@H]2Br)=O.N |&1:0,7,11,14,r|

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D-3-Bromocamphor-8-sulfonic acid ammonium salt(14575-84-9) MS
Mass

MS-NW-9035          
(+)-ammonium 3-bromo-8-camphorsulfonate
C10H18BrNO4S        (Mass of molecular ion:    327)

   Source Temperature: 210 °C
   Sample Temperature: 210 °C
   Direct, 75 eV

      16.0       2.8
      17.0       3.5
      18.0       1.0
      27.0       4.6
      29.0       3.1
      39.0      11.2
      40.0       3.2
      41.0      14.6
      42.0       1.2
      43.0       5.7
      51.0       3.3
      52.0       1.8
      53.0       8.0
      54.0       1.8
      55.0       7.5
      63.0       1.1
      64.0       1.0
      65.0       6.5
      66.0       2.3
      67.0       9.9
      68.0      15.7
      69.0      14.0
      77.0      11.7
      78.0       3.1
      79.0      23.3
      80.0       7.3
      81.0      30.4
      82.0       6.8
      83.0       1.9
      91.0      17.1
      92.0       3.4
      93.0      32.7
      94.0       8.3
      95.0       6.1
      96.0       1.4
      99.0       7.0
     103.0       1.5
     105.0      12.6
     106.0       6.5
     107.0      30.9
     108.0       5.2
     109.0       3.7
     119.0       4.1
     120.0       2.8
     121.0     100.0
     122.0      13.6
     123.0       3.1
     131.0       3.2
     133.0       1.3
     135.0      12.5
     136.0       1.8
     145.0       1.0
     147.0       1.0
     148.0       1.7
     149.0      30.7
     150.0       5.3
     151.0       2.2
     159.0       2.2
     161.0       1.7
     163.0       4.3
     167.0       7.1
     175.0       1.6
     185.0       1.6
     187.0       2.2
     188.0       3.8
     189.0       1.8
     190.0       1.0
     200.0       8.6
     201.0       5.3
     202.0      12.2
     203.0      20.7
     204.0       2.4
     213.0       5.8
     229.0       2.0
     230.0       2.0
     231.0      27.4
     232.0       4.1
     233.0       1.6
     310.0       8.9
     311.0       1.2
     312.0       9.3
     313.0       1.2

400 MHz in DMSO-d6

D-3-Bromocamphor-8-sulfonic acid ammonium salt(14575-84-9) MS

¹H NMR	399.65 MHz
C₁₀ H₁₈ Br N O₄ S	0.038 g : 0.5 ml DMSO-d₆
(+)-ammonium 3-bromo-8-camphorsulfonate

    Assign.     Shift(ppm)

      A             7.17
      B             4.992
      C             2.995
      D     *1      2.875
      E     *1      2.436
      F     *2      2.141
      G     *2      1.846
      J     *3      1.752
      K     *3      1.187
      L             1.097
      M             0.830
     
     assigned by C-H COSY

     Hz     ppm     Int.

   2867.31   7.175    443
   1998.41   5.001     85
   1997.56   4.999     88
   1993.53   4.989     87
   1992.80   4.987     86
   1201.54   3.007     61
   1197.14   2.996    103
   1192.87   2.985     61
   1154.17   2.888     88
   1140.14   2.853    102
    980.35   2.454    162
    966.31   2.418    141
    847.29   2.121     35
    747.56   1.871     34
    747.31   1.870     34
    741.58   1.856     36
    738.04   1.847     56
    734.25   1.838     32
    724.98   1.815     30
    700.32   1.753     45
    489.14   1.224     30
    483.64   1.211     33
    479.61   1.201     36
    474.61   1.188     50
    469.73   1.176     34
    438.72   1.098    734
    332.03   0.831   1000

in DMSO-d6