For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1,3,4-Trimethyl-bicyclo[2.2.2]octan-2-one
SpectraBase Compound ID LrcngVFFcJQ
InChI InChI=1S/C11H18O/c1-8-9(12)11(3)6-4-10(8,2)5-7-11/h8H,4-7H2,1-3H3/t8-,10-,11+/m0/s1
InChIKey IWBMRLFMJGVNRO-INTQDDNPSA-N
Mol Weight 166.26 g/mol
Molecular Formula C11H18O
Exact Mass 166.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3oPZPBp22w8
Name 1,3,4-Trimethyl-bicyclo[2.2.2]octan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O
InChI InChI=1S/C11H18O/c1-8-9(12)11(3)6-4-10(8,2)5-7-11/h8H,4-7H2,1-3H3/t8-,10-,11+/m0/s1
InChIKey IWBMRLFMJGVNRO-INTQDDNPSA-N
Literature Reference DOI 10.1002/ffj.2730080603
Molecular Weight 166.264 g/mol
SMILES C1[C@]2([C@](C([C@@](C1)(CC2)C)=O)(C)[H])C
SPLASH splash10-0a4i-2900000000-33fdb9cd7017332592e4
Source of Spectrum FF-8-300-15
Synonyms (1R,3S,4R)-1,3,4-trimethylbicyclo[2.2.2]octan-2-one
Wiley ID 1801256