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3-Bromo-6-methoxy-2-phenyl-chromen-4-one

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

3-Bromo-6-methoxy-2-phenyl-chromen-4-one
SpectraBase Compound ID 2OSz8ZXmjy5
InChI InChI=1S/C16H11BrO3/c1-19-11-7-8-13-12(9-11)15(18)14(17)16(20-13)10-5-3-2-4-6-10/h2-9H,1H3
InChIKey BHKMXGOQUDKUEH-UHFFFAOYSA-N
Mol Weight 331.17 g/mol
Molecular Formula C16H11BrO3
Exact Mass 329.989157 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JGswrXGCEGR
Name 3-Bromo-6-methoxy-2-phenyl-chromen-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 329.989157211 u
Formula C16H11BrO3
InChI InChI=1S/C16H11BrO3/c1-19-11-7-8-13-12(9-11)15(18)14(17)16(20-13)10-5-3-2-4-6-10/h2-9H,1H3
InChIKey BHKMXGOQUDKUEH-UHFFFAOYSA-N
Molecular Weight 331.165 g/mol
SMILES C1(=C(OC=2C(C1=O)=CC(=CC2)OC)C=1C=CC=CC1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.809545