(1β,3α,5β)-Bicyclo[3.3.1]non-6-ene-3-carboxylic acid(21932-98-9) IR2

Product Name(1β,3α,5β)-Bicyclo[3.3.1]non-6-ene-3-carboxylic acid

CAS 21932-98-9

Molecular FormulaC10H14O2

Molecular Weight166.22

InChIInChI=1/C10H14O2/c11-10(12)9-5-7-2-1-3-8(4-7)6-9/h1-2,7-9H,3-6H2,(H,11,12)/t7-,8+,9-/s3

InChIKey FFRDKUOKEIXXRA-XOJOHMJZNA-N

Smiles[C@]12([H])C[C@]([H])(C=CC1)C[C@H](C(O)=O)C2 |&1:0,3,9,r|

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IR1

IR2

Mass

MS-KW-0382          
endo-bicyclo(3.3.1)non-6-ene-3-carboxylic acid
C10H14O2            (Mass of molecular ion:    166)

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

      18.0       4.7
      27.0       5.7
      28.0       1.7
      29.0       2.3
      39.0       9.8
      40.0       1.8
      41.0      11.7
      42.0       1.3
      43.0       4.2
      45.0       1.8
      51.0       3.6
      52.0       2.1
      53.0       5.0
      54.0       3.3
      55.0       5.9
      57.0       1.2
      60.0       1.3
      63.0       1.0
      65.0       4.5
      66.0       5.0
      67.0      11.2
      68.0       3.8
      69.0       1.5
      70.0       2.0
      73.0       8.9
      74.0       1.9
      77.0      15.8
      78.0      80.8
      79.0     100.0
      80.0      14.3
      81.0      14.7
      82.0       1.4
      83.0       1.0
      86.0       2.4
      87.0       1.1
      91.0      16.7
      92.0      17.0
      93.0      14.4
      94.0       4.6
      95.0       1.9
      96.0       2.3
      97.0       2.8
     104.0       1.3
     105.0       4.5
     106.0       1.9
     107.0       1.5
     119.0       1.5
     120.0      16.1
     121.0       6.4
     122.0       1.1
     123.0       1.6
     124.0       1.8
     125.0       1.2
     138.0       2.0
     148.0      43.8
     149.0       5.2
     166.0      11.5
     167.0       1.4

KBr disc

nujol mull

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