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3-Iodo-2-phenyl-4H-[1]benzopyran-4-one

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

3-Iodo-2-phenyl-4H-[1]benzopyran-4-one
SpectraBase Compound ID QIfWnZezdG
InChI InChI=1S/C15H9IO2/c16-13-14(17)11-8-4-5-9-12(11)18-15(13)10-6-2-1-3-7-10/h1-9H
InChIKey JHYPGUFREBHZIV-UHFFFAOYSA-N
Mol Weight 348.14 g/mol
Molecular Formula C15H9IO2
Exact Mass 347.964725 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4chFyA0M8I
Name 3-Iodo-2-phenyl-4H-[1]benzopyran-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.964724528 u
Formula C15H9IO2
InChI InChI=1S/C15H9IO2/c16-13-14(17)11-8-4-5-9-12(11)18-15(13)10-6-2-1-3-7-10/h1-9H
InChIKey JHYPGUFREBHZIV-UHFFFAOYSA-N
Molecular Weight 348.139 g/mol
SMILES C1(=C(OC=2C(C1=O)=CC=CC2)C1=CC=CC=C1)I
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959489