(1β,3α,5β)-Bicyclo[3.3.1]nonane-3-acetic acid(36358-21-1) IR1

Product Name(1β,3α,5β)-Bicyclo[3.3.1]nonane-3-acetic acid

CAS 36358-21-1

Molecular FormulaC11H18O2

Molecular Weight182.25942

InChIInChI=1/C11H18O2/c12-11(13)7-10-5-8-2-1-3-9(4-8)6-10/h8-10H,1-7H2,(H,12,13)/t8-,9+,10?

InChIKey OEFYDNNJSYHKPX-ULKQDVFKNA-N

SmilesC(O)(=O)CC1C[C@@]2([H])C[C@]([H])(CCC2)C1 |&1:6,9,r|

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IR1

IR2

Mass

MS-KW-0386          
endo-bicyclo(3.3.1)nonan-3-acetic acid
C11H18O2            (Mass of molecular ion:    182)

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

      17.0       1.2
      18.0       7.0
      27.0       6.7
      28.0       2.0
      29.0       7.5
      39.0      11.5
      40.0       2.6
      41.0      24.3
      42.0       2.7
      43.0       6.0
      45.0       2.5
      51.0       1.8
      52.0       1.3
      53.0       8.3
      54.0      11.3
      55.0      19.8
      56.0       3.1
      57.0       2.8
      60.0      41.2
      61.0      22.3
      65.0       3.3
      66.0       6.1
      67.0      38.8
      68.0      13.4
      69.0       5.5
      70.0       2.3
      71.0       2.2
      73.0       1.0
      77.0       6.9
      78.0       8.3
      79.0      43.5
      80.0      73.7
      81.0      78.0
      82.0       7.9
      83.0       2.0
      84.0       1.4
      85.0       2.2
      86.0       2.8
      88.0       3.7
      89.0       1.2
      91.0       8.0
      92.0       3.4
      93.0      22.2
      94.0      18.1
      95.0      19.2
      96.0       4.1
      97.0       3.4
      99.0       1.2
     105.0       1.6
     107.0       7.3
     108.0       2.8
     109.0       1.3
     119.0       1.1
     120.0       2.6
     121.0       5.5
     122.0      37.9
     123.0     100.0
     124.0       9.7
     135.0       6.2
     136.0       6.1
     137.0       1.4
     139.0       1.1
     164.0      12.8
     165.0       2.1
     182.0       5.3
     183.0       1.0

KBr disc

nujol mull

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