Product Name(1β,3α,5β)-Bicyclo[3.3.1]nonane-3-carboxylic acid
CAS6221-62-1
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
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
nujol mull
(1β,3α,5β)-Bicyclo[3.3.1]nonane-3-carboxylic acid(6221-62-1) IR1 Atlas of Related Products
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