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2-(2-Phenylethynylphenoxy)-1-p-tolylethanone

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

2-(2-Phenylethynylphenoxy)-1-p-tolylethanone
SpectraBase Compound ID 6CAAnzMuUhn
InChI InChI=1S/C23H18O2/c1-18-11-14-20(15-12-18)22(24)17-25-23-10-6-5-9-21(23)16-13-19-7-3-2-4-8-19/h2-12,14-15H,17H2,1H3
InChIKey LVLRUYPPVQBMLG-UHFFFAOYSA-N
Mol Weight 326.4 g/mol
Molecular Formula C23H18O2
Exact Mass 326.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1uWcW3wMKtF
Name 2-(2-Phenylethynylphenoxy)-1-p-tolylethanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.130679818 u
Formula C23H18O2
InChI InChI=1S/C23H18O2/c1-18-11-14-20(15-12-18)22(24)17-25-23-10-6-5-9-21(23)16-13-19-7-3-2-4-8-19/h2-12,14-15H,17H2,1H3
InChIKey LVLRUYPPVQBMLG-UHFFFAOYSA-N
Molecular Weight 326.395 g/mol
SMILES C(#CC1=CC=CC=C1)C=1C(OCC(C=2C=CC(=CC2)C)=O)=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921713