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Back ChemicalBook Home>CAS DataBase List>6221-62-1More Spectrum> (1β,3α,5β)-Bicyclo[3.3.1]nonane-3-carboxylic acid(6221-62-1) MS

6221-62-1

(1β,3α,5β)-Bicyclo[3.3.1]nonane-3-carboxylic acid(6221-62-1) MS

Molecular FormulaC10H16O2

Molecular Weight168.23

InChIInChI=1S/C10H16O2/c11-10(12)9-5-7-2-1-3-8(4-7)6-9/h7-9H,1-6H2,(H,11,12)

InChIKey XJKUZAYHWMSZNC-UHFFFAOYSA-N

SmilesC12CC(CCC1)CC(C(O)=O)C2

  • (1β,3α,5β)-Bicyclo[3.3.1]nonane-3-carboxylic acid(6221-62-1) MS
    Mass

    MS-KW-0384          
    endo-bicyclo(3.3.1)nonan-3-carboxylic acid
    C10H16O2            (Mass of molecular ion:    168)
    

       Source Temperature: 240 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          17.0       1.5
          18.0       7.8
          27.0      12.0
          28.0       5.4
          29.0       9.6
          39.0      19.3
          40.0       3.7
          41.0      34.6
          42.0       3.3
          43.0       9.0
          45.0       4.4
          47.0       1.9
          51.0       3.7
          52.0       2.3
          53.0      13.2
          54.0      21.1
          55.0      28.4
          56.0       2.3
          57.0       3.7
          59.0       1.0
          60.0       1.3
          65.0       5.0
          66.0       7.0
          67.0      50.2
          68.0      17.2
          69.0       7.9
          70.0       2.1
          71.0       2.1
          72.0       5.4
          73.0      14.2
          74.0       3.8
          77.0      10.9
          78.0       9.7
          79.0      51.8
          80.0      50.0
          81.0     100.0
          82.0      17.9
          83.0       6.4
          84.0       1.6
          85.0       4.6
          86.0       9.8
          87.0      14.2
          88.0       1.0
          91.0       8.1
          92.0       2.9
          93.0      18.9
          94.0      14.4
          95.0      38.6
          96.0      16.2
          97.0       5.0
          98.0       1.1
          99.0       2.7
         100.0       1.0
         104.0       8.3
         105.0       1.7
         106.0       4.9
         107.0      10.8
         108.0      48.2
         109.0      12.1
         110.0       1.1
         111.0       2.1
         117.0       5.7
         119.0       1.1
         121.0       4.9
         122.0      12.3
         123.0       9.2
         124.0       1.2
         125.0      55.9
         126.0       5.9
         127.0       1.2
         132.0      11.2
         133.0       1.4
         135.0       2.5
         139.0       2.5
         149.0       1.1
         150.0      75.0
         151.0      10.4
         167.0       1.1
         168.0      63.6
         169.0       7.8
    

KBr disc

  • (1β,3α,5β)-Bicyclo[3.3.1]nonane-3-carboxylic acid(6221-62-1) MS

nujol mull

  • (1β,3α,5β)-Bicyclo[3.3.1]nonane-3-carboxylic acid(6221-62-1) MS

(1β,3α,5β)-Bicyclo[3.3.1]nonane-3-carboxylic acid(6221-62-1) MS Atlas of Related Products

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