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4-Hydroxy-3-(p-tolyl)-1-benzopyran-2-one

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

4-Hydroxy-3-(p-tolyl)-1-benzopyran-2-one
SpectraBase Compound ID 3ZPRYnIHwGV
InChI InChI=1S/C16H12O3/c1-10-6-8-11(9-7-10)14-15(17)12-4-2-3-5-13(12)19-16(14)18/h2-9,17H,1H3
InChIKey VFOIMQUAPALECW-UHFFFAOYSA-N
Mol Weight 252.27 g/mol
Molecular Formula C16H12O3
Exact Mass 252.078644 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 36s9ExQaTXl
Name 4-Hydroxy-3-(p-tolyl)-1-benzopyran-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.078644243 u
Formula C16H12O3
InChI InChI=1S/C16H12O3/c1-10-6-8-11(9-7-10)14-15(17)12-4-2-3-5-13(12)19-16(14)18/h2-9,17H,1H3
InChIKey VFOIMQUAPALECW-UHFFFAOYSA-N
Molecular Weight 252.269 g/mol
SMILES C1(=C(C2=CC=CC=C2OC1=O)O)C1=CC=C(C=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.855337