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3-Methyl-4-hydroxy-4-(phenylethynyl)-5-ethylcyclohexanone
SpectraBase Compound ID DMc4ZWHpCPG
InChI InChI=1S/C17H20O2/c1-3-15-12-16(18)11-13(2)17(15,19)10-9-14-7-5-4-6-8-14/h4-8,13,15,19H,3,11-12H2,1-2H3
InChIKey UREVZVTVEXZQPI-UHFFFAOYSA-N
Mol Weight 256.34 g/mol
Molecular Formula C17H20O2
Exact Mass 256.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GP35Tw2m4kf
Name 3-Methyl-4-hydroxy-4-(phenylethynyl)-5-ethylcyclohexanone
Alternate Name(s) 3-Ethyl-4-hydroxy-5-methyl-4-(phenylethynyl)cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O2
InChI InChI=1S/C17H20O2/c1-3-15-12-16(18)11-13(2)17(15,19)10-9-14-7-5-4-6-8-14/h4-8,13,15,19H,3,11-12H2,1-2H3
InChIKey UREVZVTVEXZQPI-UHFFFAOYSA-N
Molecular Weight 256.345 g/mol
SMILES OC1(C(CC(CC1CC)=O)C)C#Cc1ccccc1
SPLASH splash10-0kni-0900000000-d92c098923a55c216e50
Source of Spectrum SO-0-129-7
Wiley ID 1542937