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(4E)-7-Phenylhept-4-en-1-yn-3-one
SpectraBase Compound ID 2BBe7MfzvTh
InChI InChI=1S/C13H12O/c1-2-13(14)11-7-6-10-12-8-4-3-5-9-12/h1,3-5,7-9,11H,6,10H2/b11-7+
InChIKey SXKJDLLYNRBCQD-YRNVUSSQSA-N
Mol Weight 184.24 g/mol
Molecular Formula C13H12O
Exact Mass 184.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4HU7flQWY5F
Name (4E)-7-Phenylhept-4-en-1-yn-3-one
Alternate Name(s) (4E)-7-phenyl-4-hepten-1-yn-3-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O
InChI InChI=1S/C13H12O/c1-2-13(14)11-7-6-10-12-8-4-3-5-9-12/h1,3-5,7-9,11H,6,10H2/b11-7+
InChIKey SXKJDLLYNRBCQD-YRNVUSSQSA-N
Molecular Weight 184.238 g/mol
SMILES C#CC(\C=C\CCc1ccccc1)=O
SPLASH splash10-0006-9000000000-dca7a2f3454e52d5ac73
Source of Spectrum KC-61-6234-9
Wiley ID 1629622