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1-(4-Acetylphenyl)-3-phenylprop-2-yn-1-one

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

1-(4-Acetylphenyl)-3-phenylprop-2-yn-1-one
SpectraBase Compound ID CsqMs2qotKV
InChI InChI=1S/C17H12O2/c1-13(18)15-8-10-16(11-9-15)17(19)12-7-14-5-3-2-4-6-14/h2-6,8-11H,1H3
InChIKey MIHZKYAMRYBDHV-UHFFFAOYSA-N
Mol Weight 248.28 g/mol
Molecular Formula C17H12O2
Exact Mass 248.08373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2qJOb7MvziS
Name 1-(4-Acetylphenyl)-3-phenylprop-2-yn-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.083729624 u
Formula C17H12O2
InChI InChI=1S/C17H12O2/c1-13(18)15-8-10-16(11-9-15)17(19)12-7-14-5-3-2-4-6-14/h2-6,8-11H,1H3
InChIKey MIHZKYAMRYBDHV-UHFFFAOYSA-N
Molecular Weight 248.281 g/mol
SMILES C(#CC1=CC=CC=C1)C(=O)C1=CC=C(C=C1)C(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.862166