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(2E,5E,7E)-8-Phenylocta-2,5,7-trien-4-one

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

(2E,5E,7E)-8-Phenylocta-2,5,7-trien-4-one
SpectraBase Compound ID HCJmR3U0hIS
InChI InChI=1S/C14H14O/c1-2-8-14(15)12-7-6-11-13-9-4-3-5-10-13/h2-12H,1H3/b8-2+,11-6+,12-7+
InChIKey UUKYIJYNFJVNQB-GAHVQSIESA-N
Mol Weight 198.26 g/mol
Molecular Formula C14H14O
Exact Mass 198.104465 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7xdasqP3Aa5
Name (2E,5E,7E)-8-Phenylocta-2,5,7-trien-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 198.104465070 u
Formula C14H14O
InChI InChI=1S/C14H14O/c1-2-8-14(15)12-7-6-11-13-9-4-3-5-10-13/h2-12H,1H3/b8-2+,11-6+,12-7+
InChIKey UUKYIJYNFJVNQB-GAHVQSIESA-N
Molecular Weight 198.265 g/mol
SMILES C(\C=C\C=C\C=1C=CC=CC1)(\C=C\C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.973827