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5,5-Dimethyl-1-phenyl-3-hexyn-1-one
SpectraBase Compound ID IjA6IXDCzcz
InChI InChI=1S/C14H16O/c1-14(2,3)11-7-10-13(15)12-8-5-4-6-9-12/h4-6,8-9H,10H2,1-3H3
InChIKey SHGPHLCOWYSLIK-UHFFFAOYSA-N
Mol Weight 200.28 g/mol
Molecular Formula C14H16O
Exact Mass 200.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F0IcN1T1QcY
Name 5,5-Dimethyl-1-phenyl-3-hexyn-1-one
Alternate Name(s) 5,5-Dimethyl-1-phenyl-hex-3-yn-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O
InChI InChI=1S/C14H16O/c1-14(2,3)11-7-10-13(15)12-8-5-4-6-9-12/h4-6,8-9H,10H2,1-3H3
InChIKey SHGPHLCOWYSLIK-UHFFFAOYSA-N
Molecular Weight 200.281 g/mol
SMILES c1ccc(cc1)C(=O)CC#CC(C)(C)C
SPLASH splash10-0a4i-6900000000-9c9a0fdb44c418923c1f
Wiley ID 1470151