Product Name(1β,3α,5β)-Bicyclo[3.3.1]nonane-3-acetic acid
CAS36358-21-1
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|
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
(1β,3α,5β)-Bicyclo[3.3.1]nonane-3-acetic acid(36358-21-1) IR1 Atlas of Related Products
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