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2-(Cyclohex-1-en-1-ylethynyl)-6-hydroxy-2-methylcyclohexanone
SpectraBase Compound ID 2yBb7fLEkrn
InChI InChI=1S/C15H20O2/c1-15(10-5-8-13(16)14(15)17)11-9-12-6-3-2-4-7-12/h6,13,16H,2-5,7-8,10H2,1H3/t13-,15+/m1/s1
InChIKey XJWQNZZLJXGUFN-HIFRSBDPSA-N
Mol Weight 232.32 g/mol
Molecular Formula C15H20O2
Exact Mass 232.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fEF5hDTfs
Name 2-(Cyclohex-1-en-1-ylethynyl)-6-hydroxy-2-methylcyclohexanone
Alternate Name(s) (2S,6R)-2-(cyclohex-1-en-1-ylethynyl)-6-hydroxy-2-methylcyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O2
InChI InChI=1S/C15H20O2/c1-15(10-5-8-13(16)14(15)17)11-9-12-6-3-2-4-7-12/h6,13,16H,2-5,7-8,10H2,1H3/t13-,15+/m1/s1
InChIKey XJWQNZZLJXGUFN-HIFRSBDPSA-N
Literature Reference DOI 10.1002/anie.201103961
Molecular Weight 232.323 g/mol
SMILES O[C@@]1(CCC[C@@](C)(C#CC2=CCCCC2)C1=O)[H]
SPLASH splash10-055f-8950000000-15c1e55834b0021c33ac
Source of Spectrum ACI-50-SM13-1f
Wiley ID 1780038