BICYCLO[3.2.1]OCTAN-2-ONE(5019-82-9) IR2
Product NameBICYCLO[3.2.1]OCTAN-2-ONE
CAS5019-82-9
Molecular FormulaC8H12O
Molecular Weight124.18
InChIInChI=1S/C8H12O/c9-8-4-2-6-1-3-7(8)5-6/h6-7H,1-5H2
InChIKey SXFPXZSENHPCSH-UHFFFAOYSA-N
SmilesC12CC(CC1)CCC2=O
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MassMS-NW-6207 bicyclo(3.2.1)octan-2-one C8H12O (Mass of molecular ion: 124)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 1.5 18.0 1.1 26.0 2.2 27.0 19.1 28.0 4.8 29.0 7.5 38.0 2.3 39.0 24.4 40.0 5.9 41.0 22.0 42.0 2.7 43.0 1.9 50.0 1.6 51.0 3.1 52.0 1.7 53.0 10.3 54.0 15.3 55.0 17.9 56.0 2.2 57.0 1.8 63.0 1.0 65.0 3.4 66.0 6.0 67.0 66.3 68.0 24.3 69.0 4.6 70.0 1.0 77.0 2.4 78.0 3.0 79.0 8.6 80.0 100.0 81.0 17.0 82.0 5.3 83.0 3.3 91.0 3.0 93.0 1.7 95.0 8.7 96.0 3.4 106.0 2.2 109.0 1.4 124.0 28.2 125.0 2.8
in CDCl3
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