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(1R, 6S)-1-(2,2,6-Trimethylcyclohexyl)butan-1-one
SpectraBase Compound ID 4Q6ySmeH9zk
InChI InChI=1S/C13H24O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h10,12H,5-9H2,1-4H3/t10-,12-/m0/s1
InChIKey WVURNYWZKOFVRM-JQWIXIFHSA-N
Mol Weight 196.33 g/mol
Molecular Formula C13H24O
Exact Mass 196.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GpBN2s3sCw2
Name (1R, 6S)-1-(2,2,6-Trimethylcyclohexyl)butan-1-one
Alternate Name(s) 1-((1R,6S)-2,2,6-trimethylcyclohexyl)butan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O
InChI InChI=1S/C13H24O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h10,12H,5-9H2,1-4H3/t10-,12-/m0/s1
InChIKey WVURNYWZKOFVRM-JQWIXIFHSA-N
Literature Reference DOI 10.1002/ffj.1280
Molecular Weight 196.334 g/mol
SMILES C1CC[C@](C)([C@@](C(=O)CCC)(C1(C)C)[H])[H]
SPLASH splash10-016r-9400000000-f53187ddac2a3780ea0b
Source of Spectrum FF-19-125-(1R,6S)_22
Wiley ID 1775339