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1,3-Undecadien-5-one, 1-phenyl-

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

1,3-Undecadien-5-one, 1-phenyl-
SpectraBase Compound ID AFvVmY0RuQG
InChI InChI=1S/C17H22O/c1-2-3-4-8-14-17(18)15-10-9-13-16-11-6-5-7-12-16/h5-7,9-13,15H,2-4,8,14H2,1H3/b13-9+,15-10+
InChIKey RBJSSKXGUSMQPC-XHWVFBAXSA-N
Mol Weight 242.36 g/mol
Molecular Formula C17H22O
Exact Mass 242.167065 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BSEJcMgn4oo
Name 1,3-Undecadien-5-one, 1-phenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.167065327 u
Formula C17H22O
InChI InChI=1S/C17H22O/c1-2-3-4-8-14-17(18)15-10-9-13-16-11-6-5-7-12-16/h5-7,9-13,15H,2-4,8,14H2,1H3/b13-9+,15-10+
InChIKey RBJSSKXGUSMQPC-XHWVFBAXSA-N
Molecular Weight 242.362 g/mol
SMILES C1(\C=C\C=C\C(CCCCCC)=O)=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974215