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6-Hydroxy-2-methyl-2-(thiophen-3-ylethynyl)cyclohexanone
SpectraBase Compound ID 31MrE8xOHNq
InChI InChI=1S/C13H14O2S/c1-13(6-2-3-11(14)12(13)15)7-4-10-5-8-16-9-10/h5,8-9,11,14H,2-3,6H2,1H3/t11-,13+/m1/s1
InChIKey IUYNCTRIHIYKOC-YPMHNXCESA-N
Mol Weight 234.31 g/mol
Molecular Formula C13H14O2S
Exact Mass 234.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Ga0KEefTs
Name 6-Hydroxy-2-methyl-2-(thiophen-3-ylethynyl)cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O2S
InChI InChI=1S/C13H14O2S/c1-13(6-2-3-11(14)12(13)15)7-4-10-5-8-16-9-10/h5,8-9,11,14H,2-3,6H2,1H3/t11-,13+/m1/s1
InChIKey IUYNCTRIHIYKOC-YPMHNXCESA-N
Literature Reference DOI 10.1002/anie.201103961
Molecular Weight 234.313 g/mol
SMILES O[C@]1(C(=O)[C@](C)(C#Cc2cscc2)CCC1)[H]
SPLASH splash10-029j-2940000000-3168ba5986f69a8ecccd
Source of Spectrum ACI-50-SM12-1e
Synonyms (2S,6R)-6-hydroxy-2-methyl-2-(thiophen-3-ylethynyl)cyclohexan-1-one
Wiley ID 1780037