Product Name(1β,3α,5β)-Bicyclo[3.3.1]non-6-ene-3-carboxylic acid
CAS21932-98-9
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|
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
(1β,3α,5β)-Bicyclo[3.3.1]non-6-ene-3-carboxylic acid(21932-98-9) IR1 Atlas of Related Products
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