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1-(4'-Chlorophenyl)-3-(4''-methoxyphenyl)-propenone
SpectraBase Compound ID Aok44npH5AR
InChI InChI=1S/C16H13ClO2/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11H,1H3/b11-4+
InChIKey KGKFNDADSPFRCJ-NYYWCZLTSA-N
Mol Weight 272.73 g/mol
Molecular Formula C16H13ClO2
Exact Mass 272.060407 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AC46hswFErZ
Name 1-(4'-Chlorophenyl)-3-(4''-methoxyphenyl)-propenone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.060407357 u
Formula C16H13ClO2
InChI InChI=1S/C16H13ClO2/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11H,1H3/b11-4+
InChIKey KGKFNDADSPFRCJ-NYYWCZLTSA-N
SMILES C(=O)(\C=C\C1=CC=C(C=C1)OC)C1=CC=C(C=C1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.877726