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1-((1R,6S)-2,2,6-trimethylcyclohexyl)but-3-en-1-one
SpectraBase Compound ID 9zEWCjgbGmt
InChI InChI=1S/C13H22O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,10,12H,1,6-9H2,2-4H3/t10-,12-/m0/s1
InChIKey YWGHYJBSPMYUGM-JQWIXIFHSA-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 5451nM1bRMK
Name 1-((1R,6S)-2,2,6-trimethylcyclohexyl)but-3-en-1-one
Alternate Name(s) 1-[(1R,6S)-2,2,6-trimethylcyclohexyl]-3-buten-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O
InChI InChI=1S/C13H22O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,10,12H,1,6-9H2,2-4H3/t10-,12-/m0/s1
InChIKey YWGHYJBSPMYUGM-JQWIXIFHSA-N
Literature Reference DOI 10.1002/ffj.1280
Molecular Weight 194.318 g/mol
SMILES C1CC[C@](C)([C@@](C(=O)CC=C)(C1(C)C)[H])[H]
SPLASH splash10-014i-9300000000-3a370279a28cfb9e7842
Source of Spectrum FF-19-124-(1R,6S)_20
Wiley ID 1775338