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6,6-Dimethyl-3-oxo-1-phenyl-1-hepten-4-yne

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

6,6-Dimethyl-3-oxo-1-phenyl-1-hepten-4-yne
SpectraBase Compound ID ALRvxDjRRQs
InChI InChI=1S/C15H16O/c1-15(2,3)12-11-14(16)10-9-13-7-5-4-6-8-13/h4-10H,1-3H3/b10-9+
InChIKey FVFMDWNPDDGRFD-MDZDMXLPSA-N
Mol Weight 212.29 g/mol
Molecular Formula C15H16O
Exact Mass 212.120115 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HP5moA1veYO
Name 6,6-Dimethyl-3-oxo-1-phenyl-1-hepten-4-yne
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.120115134 u
Formula C15H16O
InChI InChI=1S/C15H16O/c1-15(2,3)12-11-14(16)10-9-13-7-5-4-6-8-13/h4-10H,1-3H3/b10-9+
InChIKey FVFMDWNPDDGRFD-MDZDMXLPSA-N
Molecular Weight 212.292 g/mol
SMILES C(\C=C\C=1C=CC=CC1)(C#CC(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.981245