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1,4-Diphenylbut-3-en-2-one

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

1,4-Diphenylbut-3-en-2-one
SpectraBase Compound ID DurGlnMVEG0
InChI InChI=1S/C16H14O/c17-16(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-12H,13H2/b12-11+
InChIKey QMDWBHJPUAOGHO-VAWYXSNFSA-N
Mol Weight 222.29 g/mol
Molecular Formula C16H14O
Exact Mass 222.104465 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L9KOI8SdPji
Name 1,4-Diphenylbut-3-en-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.104465070 u
Formula C16H14O
InChI InChI=1S/C16H14O/c17-16(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-12H,13H2/b12-11+
InChIKey QMDWBHJPUAOGHO-VAWYXSNFSA-N
Molecular Weight 222.287 g/mol
SMILES C(\C=C\C1=CC=CC=C1)(CC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941418