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(E)-(1R,6S)-1-(2,2,6-Trimethylcyclohexyl)-2-buten-1-one
SpectraBase Compound ID GMDK9NC2bXF
InChI InChI=1S/C13H22O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7,10,12H,6,8-9H2,1-4H3/b7-5+/t10-,12-/m0/s1
InChIKey DDDIVAXBYDCLRR-HMZXWZJTSA-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 LXRKSwFXnfP
Name (E)-(1R,6S)-1-(2,2,6-Trimethylcyclohexyl)-2-buten-1-one
Alternate Name(s) (E)-1-[(1R,6S)-2,2,6-trimethylcyclohexyl]-2-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/h5,7,10,12H,6,8-9H2,1-4H3/b7-5+/t10-,12-/m0/s1
InChIKey DDDIVAXBYDCLRR-HMZXWZJTSA-N
Molecular Weight 194.318 g/mol
SMILES [C@]1(C(CCC[C@@]1(C)[H])(C)C)(C(\C=C\C)=O)[H]
SPLASH splash10-0i29-6900000000-0996f0a12da0daa70f23
Source of Spectrum F-59-522-6
Wiley ID 1676846