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2-(2-Phenylethyl)-1,3-cyclohexanedione
SpectraBase Compound ID Aeu1sttC826
InChI InChI=1S/C14H16O2/c15-13-7-4-8-14(16)12(13)10-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
InChIKey DESWUEOUEMJMMG-UHFFFAOYSA-N
Mol Weight 216.28 g/mol
Molecular Formula C14H16O2
Exact Mass 216.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KFetjMEikwy
Name 2-(2-Phenylethyl)-1,3-cyclohexanedione
Alternate Name(s) 1,3-Cyclohexanedione, 2-(2-phenylethyl)- 2-Phenethylcyclohexane-1,3-dione 2-Phenethylcyclohexane-1,3-quinone
CAS Registry Number 62264-41-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O2
InChI InChI=1S/C14H16O2/c15-13-7-4-8-14(16)12(13)10-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
InChIKey DESWUEOUEMJMMG-UHFFFAOYSA-N
Molecular Weight 216.280 g/mol
SMILES C1C(C(C(CC1)=O)CCc1ccccc1)=O
SPLASH splash10-0udi-9700000000-d2a3f0c95117987af4f1
Wiley ID 1487444