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3-Phenyl-4-[(2E)-3-phenylprop-2-en-1-yl]-1H-isochromen-1-one
SpectraBase Compound ID 3wxU44lrCLI
InChI InChI=1S/C24H18O2/c25-24-22-16-8-7-15-20(22)21(17-9-12-18-10-3-1-4-11-18)23(26-24)19-13-5-2-6-14-19/h1-16H,17H2/b12-9+
InChIKey SBFUZCMDZXJBFH-FMIVXFBMSA-N
Mol Weight 338.41 g/mol
Molecular Formula C24H18O2
Exact Mass 338.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9YiMStnoKqF
Name 3-Phenyl-4-[(2E)-3-phenylprop-2-en-1-yl]-1H-isochromen-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.130679818 u
Formula C24H18O2
InChI InChI=1S/C24H18O2/c25-24-22-16-8-7-15-20(22)21(17-9-12-18-10-3-1-4-11-18)23(26-24)19-13-5-2-6-14-19/h1-16H,17H2/b12-9+
InChIKey SBFUZCMDZXJBFH-FMIVXFBMSA-N
Molecular Weight 338.406 g/mol
SMILES C1=CC=C2C(C\C=C\C3=CC=CC=C3)=C(OC(C2=C1)=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953841