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2H-1-Benzopyran-2-one, 3-iodo-4-phenoxy-

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

2H-1-Benzopyran-2-one, 3-iodo-4-phenoxy-
SpectraBase Compound ID 2B2joTCkkE2
InChI InChI=1S/C15H9IO3/c16-13-14(18-10-6-2-1-3-7-10)11-8-4-5-9-12(11)19-15(13)17/h1-9H
InChIKey CBRHBRGPGPQQCL-UHFFFAOYSA-N
Mol Weight 364.14 g/mol
Molecular Formula C15H9IO3
Exact Mass 363.959639 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HzGoIDZTng
Name 2H-1-Benzopyran-2-one, 3-iodo-4-phenoxy-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 363.959639147 u
Formula C15H9IO3
InChI InChI=1S/C15H9IO3/c16-13-14(18-10-6-2-1-3-7-10)11-8-4-5-9-12(11)19-15(13)17/h1-9H
InChIKey CBRHBRGPGPQQCL-UHFFFAOYSA-N
Molecular Weight 364.138 g/mol
SMILES C=1(OC2=CC=CC=C2)C2=C(OC(C1I)=O)C=CC=C2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961232