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1,3-Dimethyl-4-methylethyl-bicyclo[2.2.2]octan-2-one
SpectraBase Compound ID Eya3UvLcQNG
InChI InChI=1S/C13H22O/c1-9(2)13-7-5-12(4,6-8-13)11(14)10(13)3/h9-10H,5-8H2,1-4H3/t10-,12-,13+/m0/s1
InChIKey GLFAKTVKDGLQBV-WCFLWFBJSA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GfNYUBkWOWy
Name 1,3-Dimethyl-4-methylethyl-bicyclo[2.2.2]octan-2-one
Alternate Name(s) (1R,3S,4R)-4-isopropyl-1,3-dimethylbicyclo[2.2.2]octan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O
InChI InChI=1S/C13H22O/c1-9(2)13-7-5-12(4,6-8-13)11(14)10(13)3/h9-10H,5-8H2,1-4H3/t10-,12-,13+/m0/s1
InChIKey GLFAKTVKDGLQBV-WCFLWFBJSA-N
Literature Reference DOI 10.1002/ffj.2730080603
Molecular Weight 194.318 g/mol
SMILES C1[C@]2([C@](C([C@@](C1)(CC2)C)=O)(C)[H])C(C)C
SPLASH splash10-0083-6900000000-572e2c0bb19a7e0acc6c
Source of Spectrum FF-8-300-17
Wiley ID 1801258