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2-(2-Phenethyl)-2,6,6-trimethylcyclohexane-1,4-dione
SpectraBase Compound ID 5rqR9FDWEGc
InChI InChI=1S/C17H22O2/c1-16(2)11-14(18)12-17(3,15(16)19)10-9-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3
InChIKey KUXSYRAEXGSWIY-UHFFFAOYSA-N
Mol Weight 258.36 g/mol
Molecular Formula C17H22O2
Exact Mass 258.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6qhODNmGMKK
Name 2-(2-Phenethyl)-2,6,6-trimethylcyclohexane-1,4-dione
Alternate Name(s) 2,2,6-trimethyl-6-(2-phenylethyl)-1,4-cyclohexanedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O2
InChI InChI=1S/C17H22O2/c1-16(2)11-14(18)12-17(3,15(16)19)10-9-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3
InChIKey KUXSYRAEXGSWIY-UHFFFAOYSA-N
Molecular Weight 258.361 g/mol
SMILES C1(C(C(C)(C)CC(C1)=O)=O)(CCc1ccccc1)C
SPLASH splash10-0udl-5900000000-732109cfeb33563d87fd
Source of Spectrum J-58-3458-10
Wiley ID 1262199