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3-Methyl-bicyclo(2.2.2)octan-2-one
SpectraBase Compound ID 1Gavp5SEz13
InChI InChI=1S/C9H14O/c1-6-7-2-4-8(5-3-7)9(6)10/h6-8H,2-5H2,1H3/t6-,7-,8+/m1/s1
InChIKey RMZQBMVYJTYCBD-PRJMDXOYSA-N
Mol Weight 138.21 g/mol
Molecular Formula C9H14O
Exact Mass 138.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DSn4Ho8Y0Ej
Name 3-Methyl-bicyclo[2.2.2]octan-2-one
Alternate Name(s) (1R,3S,4R)-3-methylbicyclo[2.2.2]octan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O
InChI InChI=1S/C9H14O/c1-6-7-2-4-8(5-3-7)9(6)10/h6-8H,2-5H2,1H3/t6-,7-,8+/m1/s1
InChIKey RMZQBMVYJTYCBD-PRJMDXOYSA-N
Literature Reference DOI 10.1002/ffj.2730080603
Molecular Weight 138.210 g/mol
SMILES C1[C@]2([C@](C([C@@](C1)(CC2)[H])=O)(C)[H])[H]
SPLASH splash10-001i-9100000000-b2fcf76be9b4a52f96b8
Source of Spectrum FF-8-300-13
Wiley ID 1801255