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2,3-Epoxy-3-phenyl-7-acetoxy-2,3-dihydrobenzopyran-4(4H)-one

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

2,3-Epoxy-3-phenyl-7-acetoxy-2,3-dihydrobenzopyran-4(4H)-one
SpectraBase Compound ID JEuO6y0ULDU
InChI InChI=1S/C17H12O5/c1-10(18)20-12-7-8-13-14(9-12)21-16-17(22-16,15(13)19)11-5-3-2-4-6-11/h2-9,16H,1H3
InChIKey FCCMQNKYRSNPGO-UHFFFAOYSA-N
Mol Weight 296.28 g/mol
Molecular Formula C17H12O5
Exact Mass 296.068473 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9qM5tzVw0TN
Name 2,3-Epoxy-3-phenyl-7-acetoxy-2,3-dihydrobenzopyran-4(4H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.068473481 u
Formula C17H12O5
InChI InChI=1S/C17H12O5/c1-10(18)20-12-7-8-13-14(9-12)21-16-17(22-16,15(13)19)11-5-3-2-4-6-11/h2-9,16H,1H3
InChIKey FCCMQNKYRSNPGO-UHFFFAOYSA-N
SMILES C12(C(OC=3C(C2=O)=CC=C(OC(=O)C)C3)O1)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954549