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4H-1-Benzopyran-4-one, 3-(acetyloxy)-2-phenyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

4H-1-Benzopyran-4-one, 3-(acetyloxy)-2-phenyl-
SpectraBase Compound ID 2EQRLiKZnUp
InChI InChI=1S/C17H12O4/c1-11(18)20-17-15(19)13-9-5-6-10-14(13)21-16(17)12-7-3-2-4-8-12/h2-10H,1H3
InChIKey NCHSTTAWIMAJHU-UHFFFAOYSA-N
Mol Weight 280.28 g/mol
Molecular Formula C17H12O4
Exact Mass 280.073559 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1rMgK8awgqP
Name 4H-1-Benzopyran-4-one, 3-(acetyloxy)-2-phenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.073558862 u
Formula C17H12O4
InChI InChI=1S/C17H12O4/c1-11(18)20-17-15(19)13-9-5-6-10-14(13)21-16(17)12-7-3-2-4-8-12/h2-10H,1H3
InChIKey NCHSTTAWIMAJHU-UHFFFAOYSA-N
SMILES C1=C(C=CC=C1)C1=C(OC(C)=O)C(C2=CC=CC=C2O1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954036