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(4R*,5R*)-5-Methyl-4-hydroxy-4-(phenylethynyl)-2-cyclohexenone
SpectraBase Compound ID KkvEukEkMAn
InChI InChI=1S/C15H14O2/c1-12-11-14(16)8-10-15(12,17)9-7-13-5-3-2-4-6-13/h2-6,8,10,12,17H,11H2,1H3/t12-,15+/m1/s1
InChIKey YUPLBOBLWFMFFJ-DOMZBBRYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C15H14O2
Exact Mass 226.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9MoWK65FP44
Name (4R*,5R*)-5-Methyl-4-hydroxy-4-(phenylethynyl)-2-cyclohexenone
Alternate Name(s) (4R,5R)-4-hydroxy-5-methyl-4-(phenylethynyl)-2-cyclohexen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14O2
InChI InChI=1S/C15H14O2/c1-12-11-14(16)8-10-15(12,17)9-7-13-5-3-2-4-6-13/h2-6,8,10,12,17H,11H2,1H3/t12-,15+/m1/s1
InChIKey YUPLBOBLWFMFFJ-DOMZBBRYSA-N
Molecular Weight 226.275 g/mol
SMILES O[C@@]1(C#Cc2ccccc2)C=CC(C[C@]1(C)[H])=O
SPLASH splash10-001i-0900000000-c2070759bae266f0344b
Source of Spectrum SO-0-129-3
Wiley ID 1542942