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

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

5,5-Dimethyl-1-phenyl-2,6,7-nonatrienone
SpectraBase Compound ID I3jZF8QSfym
InChI InChI=1S/C17H20O/c1-4-5-13-17(2,3)14-9-12-16(18)15-10-7-6-8-11-15/h4,6-13H,14H2,1-3H3/b12-9+
InChIKey UQRGHEMCSGCUDR-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 1KElXjpis7L
Name 5,5-Dimethyl-1-phenyl-2,6,7-nonatrienone
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/c1-4-5-13-17(2,3)14-9-12-16(18)15-10-7-6-8-11-15/h4,6-13H,14H2,1-3H3/b12-9+
InChIKey UQRGHEMCSGCUDR-FMIVXFBMSA-N
Molecular Weight 240.346 g/mol
SMILES C(C\C=C\C(=O)C1=CC=CC=C1)(C)(C)C=C=CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95153