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5,5,6-Trimethyl-1-phenyl-2,6,7-octatrienone

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

5,5,6-Trimethyl-1-phenyl-2,6,7-octatrienone
SpectraBase Compound ID KEiWScFDbxA
InChI InChI=1S/C17H20O/c1-5-14(2)17(3,4)13-9-12-16(18)15-10-7-6-8-11-15/h6-12H,1,13H2,2-4H3/b12-9+
InChIKey IBJPEBBAWNSCBF-FMIVXFBMSA-N
Mol Weight 240.35 g/mol
Molecular Formula C17H20O
Exact Mass 240.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C6U0wMwW35p
Name 5,5,6-Trimethyl-1-phenyl-2,6,7-octatrienone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.151415263 u
Formula C17H20O
InChI InChI=1S/C17H20O/c1-5-14(2)17(3,4)13-9-12-16(18)15-10-7-6-8-11-15/h6-12H,1,13H2,2-4H3/b12-9+
InChIKey IBJPEBBAWNSCBF-FMIVXFBMSA-N
Molecular Weight 240.346 g/mol
SMILES C(C\C=C\C(=O)C1=CC=CC=C1)(C)(C)C(=C=C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.866979