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6-Hydroxy-2-((4-methoxyphenyl)ethynyl)-2-methylcyclohexanone
SpectraBase Compound ID Frkfxyq7brx
InChI InChI=1S/C16H18O3/c1-16(10-3-4-14(17)15(16)18)11-9-12-5-7-13(19-2)8-6-12/h5-8,14,17H,3-4,10H2,1-2H3/t14-,16+/m1/s1
InChIKey WUGGEDFLVCZYPX-ZBFHGGJFSA-N
Mol Weight 258.32 g/mol
Molecular Formula C16H18O3
Exact Mass 258.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EbgRR6FeYDj
Name 6-Hydroxy-2-((4-methoxyphenyl)ethynyl)-2-methylcyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O3
InChI InChI=1S/C16H18O3/c1-16(10-3-4-14(17)15(16)18)11-9-12-5-7-13(19-2)8-6-12/h5-8,14,17H,3-4,10H2,1-2H3/t14-,16+/m1/s1
InChIKey WUGGEDFLVCZYPX-ZBFHGGJFSA-N
Literature Reference DOI 10.1002/anie.201103961
Molecular Weight 258.317 g/mol
SMILES O[C@@]1(CCC[C@@](C#Cc2ccc(cc2)OC)(C1=O)C)[H]
SPLASH splash10-0a4u-0950000000-a2b80dcf44d2f00a569d
Source of Spectrum ACI-50-SM11-1b
Synonyms (2S,6R)-6-hydroxy-2-((4-methoxyphenyl)ethynyl)-2-methylcyclohexan-1-one
Wiley ID 1780034