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2-Methoxy-5-(4'-methoxyphenyl)cyclohepta-2,4,6-trien-1-one

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

2-Methoxy-5-(4'-methoxyphenyl)cyclohepta-2,4,6-trien-1-one
SpectraBase Compound ID 9HzG2QfaYAp
InChI InChI=1S/C15H14O3/c1-17-13-7-3-11(4-8-13)12-5-9-14(16)15(18-2)10-6-12/h3-10H,1-2H3
InChIKey KOYAXJLDPCYFBK-UHFFFAOYSA-N
Mol Weight 242.27 g/mol
Molecular Formula C15H14O3
Exact Mass 242.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JDgnoQZwKp7
Name 2-Methoxy-5-(4'-methoxyphenyl)cyclohepta-2,4,6-trien-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.094294308 u
Formula C15H14O3
InChI InChI=1S/C15H14O3/c1-17-13-7-3-11(4-8-13)12-5-9-14(16)15(18-2)10-6-12/h3-10H,1-2H3
InChIKey KOYAXJLDPCYFBK-UHFFFAOYSA-N
Molecular Weight 242.274 g/mol
SMILES C1(=CC=C(OC)C(C=C1)=O)C=1C=CC(=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.919653