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2-(m-Tolyl)-4H-chromen-4-one

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

2-(m-Tolyl)-4H-chromen-4-one
SpectraBase Compound ID 2IEMNmlGeII
InChI InChI=1S/C16H12O2/c1-11-5-4-6-12(9-11)16-10-14(17)13-7-2-3-8-15(13)18-16/h2-10H,1H3
InChIKey WJGAPNSNJXZBPQ-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C16H12O2
Exact Mass 236.08373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CXF8xFIWlTy
Name 2-(m-Tolyl)-4H-chromen-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.083729624 u
Formula C16H12O2
InChI InChI=1S/C16H12O2/c1-11-5-4-6-12(9-11)16-10-14(17)13-7-2-3-8-15(13)18-16/h2-10H,1H3
InChIKey WJGAPNSNJXZBPQ-UHFFFAOYSA-N
Molecular Weight 236.270 g/mol
SMILES C1=CC=C2OC(=CC(=O)C2=C1)C1=CC=CC(=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932957