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5,5-Dimethyl-3-(2-oxo-2-phenylethyl)-2-cyclohexen-1-one
SpectraBase Compound ID CnaYMoYUWBV
InChI InChI=1S/C16H18O2/c1-16(2)10-12(8-14(17)11-16)9-15(18)13-6-4-3-5-7-13/h3-8H,9-11H2,1-2H3
InChIKey MZJBNBCWQDYILJ-UHFFFAOYSA-N
Mol Weight 242.32 g/mol
Molecular Formula C16H18O2
Exact Mass 242.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5XvzOGYTyIP
Name 5,5-Dimethyl-3-(2-oxo-2-phenylethyl)-2-cyclohexen-1-one
CAS Registry Number 65253-23-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O2
InChI InChI=1S/C16H18O2/c1-16(2)10-12(8-14(17)11-16)9-15(18)13-6-4-3-5-7-13/h3-8H,9-11H2,1-2H3
InChIKey MZJBNBCWQDYILJ-UHFFFAOYSA-N
Molecular Weight 242.318 g/mol
SMILES C1(=CC(=O)CC(C1)(C)C)CC(=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-6e33e69393928d41ae22
Source of Spectrum J-43-1818-0
Wiley ID 1245512