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2,3-Diphenyl-1-benzopyran-4-one

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

2,3-Diphenyl-1-benzopyran-4-one
SpectraBase Compound ID 5PmoWlSUgSo
InChI InChI=1S/C21H14O2/c22-20-17-13-7-8-14-18(17)23-21(16-11-5-2-6-12-16)19(20)15-9-3-1-4-10-15/h1-14H
InChIKey JVYZVBXPKQNJIS-UHFFFAOYSA-N
Mol Weight 298.34 g/mol
Molecular Formula C21H14O2
Exact Mass 298.09938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8Gh9ThsYo9E
Name 2,3-Diphenyl-1-benzopyran-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.099379689 u
Formula C21H14O2
InChI InChI=1S/C21H14O2/c22-20-17-13-7-8-14-18(17)23-21(16-11-5-2-6-12-16)19(20)15-9-3-1-4-10-15/h1-14H
InChIKey JVYZVBXPKQNJIS-UHFFFAOYSA-N
SMILES C1(=C(OC=2C(C1=O)=CC=CC2)C=1C=CC=CC1)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.834861