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5,5-Dimethyl-1-(2-phenyl-1-ethynyl)-1-cyclohexen-3-one
SpectraBase Compound ID DDzI6ARUHCY
InChI InChI=1S/C16H16O/c1-16(2)11-14(10-15(17)12-16)9-8-13-6-4-3-5-7-13/h3-7,10H,11-12H2,1-2H3
InChIKey BMLRUUXGLLLNKL-UHFFFAOYSA-N
Mol Weight 224.3 g/mol
Molecular Formula C16H16O
Exact Mass 224.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 37L8oyQYPw
Name 5,5-Dimethyl-1-(2-phenyl-1-ethynyl)-1-cyclohexen-3-one
Alternate Name(s) 5,5-Dimethyl-3-(phenylethynyl)-2-cyclohexen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O
InChI InChI=1S/C16H16O/c1-16(2)11-14(10-15(17)12-16)9-8-13-6-4-3-5-7-13/h3-7,10H,11-12H2,1-2H3
InChIKey BMLRUUXGLLLNKL-UHFFFAOYSA-N
Molecular Weight 224.303 g/mol
SMILES C(#Cc1ccccc1)C1=CC(=O)CC(C1)(C)C
SPLASH splash10-01bi-1940000000-54f3656b805c49de8280
Source of Spectrum F-53-7458-7
Wiley ID 802152