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

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5,5-Dimethyl-1-phenyl-2,6,7-octatrienone
SpectraBase Compound ID LET5rO9PsuE
InChI InChI=1S/C16H18O/c1-4-12-16(2,3)13-8-11-15(17)14-9-6-5-7-10-14/h5-12H,1,13H2,2-3H3/b11-8+
InChIKey KSCLVMVTEGRUGY-DHZHZOJOSA-N
Mol Weight 226.32 g/mol
Molecular Formula C16H18O
Exact Mass 226.135765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ISbBLWkcFZz
Name 5,5-Dimethyl-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 226.135765199 u
Formula C16H18O
InChI InChI=1S/C16H18O/c1-4-12-16(2,3)13-8-11-15(17)14-9-6-5-7-10-14/h5-12H,1,13H2,2-3H3/b11-8+
InChIKey KSCLVMVTEGRUGY-DHZHZOJOSA-N
Molecular Weight 226.319 g/mol
SMILES C(C\C=C\C(=O)C1=CC=CC=C1)(C)(C)C=C=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934314