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2-Benzoyl-4H-chromen-4-one

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

2-Benzoyl-4H-chromen-4-one
SpectraBase Compound ID 6GQxxSRB02x
InChI InChI=1S/C16H10O3/c17-13-10-15(16(18)11-6-2-1-3-7-11)19-14-9-5-4-8-12(13)14/h1-10H
InChIKey CYEWOGGFJNAXMQ-UHFFFAOYSA-N
Mol Weight 250.25 g/mol
Molecular Formula C16H10O3
Exact Mass 250.062994 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LfHj6af2GUB
Name 2-Benzoyl-4H-chromen-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.062994179 u
Formula C16H10O3
InChI InChI=1S/C16H10O3/c17-13-10-15(16(18)11-6-2-1-3-7-11)19-14-9-5-4-8-12(13)14/h1-10H
InChIKey CYEWOGGFJNAXMQ-UHFFFAOYSA-N
Molecular Weight 250.253 g/mol
SMILES C12=C(C=CC=C2)C(C=C(O1)C(C=1C=CC=CC1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928653