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1,8-Diphenyloct-2-en-1-one

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

1,8-Diphenyloct-2-en-1-one
SpectraBase Compound ID 90q1diMZA5m
InChI InChI=1S/C20H22O/c21-20(19-15-9-5-10-16-19)17-11-3-1-2-6-12-18-13-7-4-8-14-18/h4-5,7-11,13-17H,1-3,6,12H2/b17-11+
InChIKey BIERJGJHHRQWNK-GZTJUZNOSA-N
Mol Weight 278.39 g/mol
Molecular Formula C20H22O
Exact Mass 278.167065 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Hgt6igLHnty
Name 1,8-Diphenyloct-2-en-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.167065327 u
Formula C20H22O
InChI InChI=1S/C20H22O/c21-20(19-15-9-5-10-16-19)17-11-3-1-2-6-12-18-13-7-4-8-14-18/h4-5,7-11,13-17H,1-3,6,12H2/b17-11+
InChIKey BIERJGJHHRQWNK-GZTJUZNOSA-N
SMILES C(\C=C\CCCCCC=1C=CC=CC1)(=O)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968875