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Back ChemicalBook Home>CAS DataBase List>14575-84-9More Spectrum> D-3-Bromocamphor-8-sulfonic acid ammonium salt(14575-84-9) IR1

D-3-Bromocamphor-8-sulfonic acid ammonium salt(14575-84-9) IR1

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|


  • 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


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



KBr disc



nujol mull





D-3-Bromocamphor-8-sulfonic acid ammonium salt(14575-84-9) IR1 Atlas of Related Products

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